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COPs_protein.json
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{
"title": "Default Standard Protein",
"comment": "Standard Reference ChemicalShift values for Protein. Source: BMRB database",
"applicationVersion": "3.1.1",
"creation_date_dd-mm-yy": "12-01-23",
"user": "CCPN",
"moleculeType": "Protein",
"residues": [
{
"residueName": "Alanine",
"shortName": "ALA",
"ccpcode": "Ala",
"atoms": [
{
"atomName": "C",
"element": "C",
"averageShift": 177.743,
"stdShift": 2.19914,
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"maxShift": 187,
"distributionRefValue": 169,
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"distribution": [0.00266204, 0.00266204, 0.00601852, 0.0106481, 0.0282407, 0.0575231, 0.102662, 0.119676, 0.182755, 0.18206, 0.144329, 0.11088, 0.0418981, 0.00578704, 0.00104167, 0.000462963, 0.000347222, 0.000347222]
},
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"distribution": [0, 0.000549063, 0.000235313, 0.00101969, 0.00203938, 0.00290219, 0.00509844, 0.00925563, 0.0157659, 0.0295709, 0.0418072, 0.0519256, 0.0524747, 0.0680838, 0.0854969, 0.0982038, 0.0688681, 0.0592988, 0.0716919, 0.113342, 0.117264, 0.069025, 0.0243156, 0.00643188, 0.00251, 0.00109813, 0.000470625, 0.000392188, 0.000235313, 0.00031375, 0.000156875, 7.84375e-05, 7.84375e-05]
},
{
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"minShift": 12,
"maxShift": 27,
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"distribution": [0.000256674, 8.55578e-05, 0.000171116, 0.00128337, 0.00128337, 0.00410678, 0.0112936, 0.013347, 0.0244695, 0.0356776, 0.0614305, 0.113621, 0.155886, 0.152464, 0.144251, 0.0782854, 0.045089, 0.0293463, 0.0237851, 0.0219884, 0.0190794, 0.0165127, 0.0146304, 0.0136037, 0.00752909, 0.0054757, 0.00205339, 0.0016256, 0.000770021, 0.000598905]
},
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"distribution": [0.000176647, 5.88824e-05, 0.000117765, 0.000117765, 0.00023553, 0.000117765, 0.000176647, 0.000117765, 0.00023553, 0.000117765, 0.000294412, 0.001001, 0.000588824, 0.0013543, 0.000824354, 0.0013543, 0.000942119, 0.002002, 0.00182535, 0.0033563, 0.00288524, 0.0033563, 0.00353294, 0.00288524, 0.00559383, 0.00588824, 0.00524053, 0.00659483, 0.00842018, 0.00900901, 0.0126597, 0.0117765, 0.0117765, 0.0152505, 0.015015, 0.0214332, 0.0179003, 0.0211388, 0.0239063, 0.0239651, 0.0316787, 0.0270859, 0.0320909, 0.0331508, 0.0352706, 0.0396867, 0.032032, 0.0462227, 0.0357416, 0.0403345, 0.0434552, 0.0286169, 0.038038, 0.0221987, 0.0269681, 0.0264382, 0.0177236, 0.02055, 0.0141318, 0.0196667, 0.0193134, 0.0124831, 0.0126597, 0.0113054, 0.0103633, 0.0109521, 0.0077136, 0.0093623, 0.00688924, 0.00665371, 0.00671259, 0.00488724, 0.00577048, 0.00282636, 0.003003, 0.0023553, 0.002002, 0.00206088, 0.000706589, 0.000883236, 0.00141318, 0.000647707, 0.00105988, 0.000294412, 0.00023553, 0.000471059, 0.000647707, 0.000176647, 0.000353294, 0.000117765, 0.000294412, 0.000117765, 0.000176647, 0.00023553, 0.00023553, 0.000117765, 0.000176647]
},
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},
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},
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"element": "N",
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}
]
},
{
"residueName": "Arginine",
"shortName": "ARG",
"ccpcode": "Arg",
"atoms": [
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},
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},
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