save_theoretical_heteronucl_T2_relaxation_1_600R2
_Theoretical_heteronucl_T2_list.Sf_category theoretical_heteronucl_T2_relaxation
_Theoretical_heteronucl_T2_list.Sf_framecode theoretical_heteronucl_T2_relaxation_1_600R2
_Theoretical_heteronucl_T2_list.Entry_ID 50166
_Theoretical_heteronucl_T2_list.ID 1
_Theoretical_heteronucl_T2_list.Name 600R2
_Theoretical_heteronucl_T2_list.Sample_condition_list_ID 1
_Theoretical_heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled
_Theoretical_heteronucl_T2_list.Temp_calibration_method n/a
_Theoretical_heteronucl_T2_list.Temp_control_method n/a
_Theoretical_heteronucl_T2_list.Spectrometer_frequency_1H 600
_Theoretical_heteronucl_T2_list.T2_coherence_type I(+,-)
_Theoretical_heteronucl_T2_list.T2_val_units s-1
_Theoretical_heteronucl_T2_list.Rex_units .
_Theoretical_heteronucl_T2_list.Details .
_Theoretical_heteronucl_T2_list.Text_data_format text
_Theoretical_heteronucl_T2_list.Text_data
;
# Parameter description: Either the R1 or R2 relaxation rate.
#
# mol_name res_num res_name spin_num spin_name value error
P2MIN 1 M 1 N None None
P2MIN 2 T 2 N None None
P2MIN 3 S 3 N 9.64518709987371 0.383260080724445
P2MIN 4 E 4 N 9.53155952759317 0.358411068428311
P2MIN 5 W 5 N 11.9053264598285 0.510295963357528
P2MIN 6 E 6 N 22.2072760826597 1.68420460431446
P2MIN 7 L 7 N 17.2369332250499 1.25946653204877
P2MIN 8 F 8 N 17.2184028822684 1.32577942722642
P2MIN 9 I 9 N 19.194526259553 1.76386201367825
P2MIN 10 Y 10 N 22.4942247396875 1.47305699862281
P2MIN 11 K 11 N None None
P2MIN 12 L 12 N 24.4327846354185 1.06008797538175
P2MIN 13 K 13 N None None
P2MIN 14 A 14 N None None
P2MIN 15 D 15 N None None
P2MIN 16 K 16 N None None
P2MIN 17 W 17 N None None
P2MIN 18 C 18 N None None
P2MIN 19 I 19 N 20.174232002717 1.71177830696187
P2MIN 20 G 20 N 22.0290297125104 2.35054672037803
P2MIN 21 E 21 N 18.8147958696799 1.19480584170187
P2MIN 22 P 22 N None None
P2MIN 23 L 23 N 19.5830529924467 1.22483616432848
P2MIN 24 R 24 N 26.7614226518421 2.43606152304268
P2MIN 25 N 25 N 23.7896818870297 1.55262889577164
P2MIN 26 L 26 N 23.5818468825945 1.84350391243216
P2MIN 27 F 27 N 24.5090649289182 2.37138224230284
P2MIN 28 M 28 N 18.5026953602522 1.16522598500119
P2MIN 29 P 29 N None None
P2MIN 30 E 30 N 22.2824042194343 1.09006078263
P2MIN 31 G 31 N 16.943287238546 1.0129317735063
P2MIN 32 T 32 N 21.6783493384497 1.08779845093062
P2MIN 33 R 33 N 18.6650808796068 1.01676111193987
P2MIN 34 I 34 N 18.9360309795189 1.03949830253699
P2MIN 35 A 35 N 20.2264731994517 2.09025976224372
P2MIN 36 A 36 N 18.6830563557958 1.32416827857595
P2MIN 37 V 37 N 14.0146296668874 0.875566732640673
P2MIN 38 F 38 N 24.5428649044927 2.72736161634321
P2MIN 39 R 39 N 28.0582226409245 3.06977086583125
P2MIN 40 D 40 N 23.7363065759564 2.55111031632307
P2MIN 41 N 41 N 24.9180659861976 3.0748208030896
P2MIN 42 Q 42 N 20.1625473417046 1.357918503303
P2MIN 43 L 43 N 19.258408044642 0.945687923522983
P2MIN 44 L 44 N 20.9437448300196 2.54311413647135
P2MIN 45 H 45 N 23.3766183449156 1.11048379351992
P2MIN 46 P 46 N None None
P2MIN 47 S 47 N 14.347033867357 1.04148276183036
P2MIN 48 G 48 N None None
P2MIN 49 S 49 N 21.3931118587028 1.69668517595079
P2MIN 50 T 50 N 20.2407387552329 1.09431250930281
P2MIN 51 E 51 N 19.1177152069879 0.918514585739324
P2MIN 52 L 52 N 15.7832007396874 1.25200551770322
P2MIN 53 C 53 N 20.5192395730424 1.36649380793185
P2MIN 54 E 54 N 15.8260059001618 1.06436008065206
P2MIN 55 G 55 N 21.5329796548409 1.83128984187638
P2MIN 56 D 56 N 20.3447377171369 0.968502003302116
P2MIN 57 T 57 N 21.5777666720763 1.48265945664169
P2MIN 58 L 58 N 19.8486482581305 1.31244079028899
P2MIN 59 C 59 N 11.7469761758768 0.519212949053187
P2MIN 60 V 60 N 17.6819368959357 1.38282208895832
P2MIN 61 M 61 N 22.4316292986317 1.72711110855394
P2MIN 62 A 62 N 21.8196502630928 1.80137605641406
P2MIN 63 Q 63 N 18.0660324329325 1.35050961949558
P2MIN 64 E 64 N 20.3174581801039 0.768027805239421
P2MIN 65 R 65 N 19.3970733344253 0.909152619068162
P2MIN 66 D 66 N 20.013133695328 0.969010406164658
P2MIN 67 L 67 N 19.0211013870327 0.925540420272265
P2MIN 68 E 68 N 13.3039527212858 0.621704209009191
P2MIN 69 S 69 N 17.67643787082 0.870922300851602
P2MIN 70 L 70 N 13.9860091664255 0.691851347384187
P2MIN 71 S 71 N 18.14286593533 0.791800199505314
P2MIN 72 R 72 N 24.0866189123992 3.5140365744223
P2MIN 73 L 73 N 18.1586392655291 1.23784083293708
P2MIN 74 F 74 N 22.0192835662288 3.44805209533195
P2MIN 75 S 75 N None None
P2MIN 76 E 76 N None None
P2MIN 77 A 77 N 19.4725696123092 0.888509390491325
P2MIN 78 P 78 N None None
P2MIN 79 E 79 N None None
P2MIN 80 K 80 N 14.2774546235071 0.855361050155448
P2MIN 81 A 81 N 17.5637952427443 1.88420496593752
P2MIN 82 S 82 N 17.1972384299166 1.16138022994016
P2MIN 83 L 83 N None None
P2MIN 84 A 84 N 18.4455371386656 1.36960613270534
P2MIN 85 R 85 N 26.7688234694346 3.25400975590246
P2MIN 86 F 86 N 19.4044751756994 2.63684397652356
P2MIN 87 F 87 N 23.0332081593746 5.59093543583164
P2MIN 88 G 88 N None None
P2MIN 89 D 89 N 20.6687128952539 3.74996371081847
P2MIN 90 F 90 N 22.6502687054218 4.00812303630995
P2MIN 91 F 91 N 14.6444084355114 1.09104879883785
P2MIN 92 L 92 N 28.0012925475721 5.6393670724421
P2MIN 93 D 93 N 19.2016663226301 1.28658785233596
P2MIN 94 I 94 N 18.5090977713863 1.20979591121023
P2MIN 95 E 95 N 15.5973893443052 0.555987836277113
P2MIN 96 A 96 N 15.9043565190687 0.604174445682151
P2MIN 97 K 97 N 16.7237484376485 0.691738628684284
P2MIN 98 L 98 N 17.0655748329428 0.448851080011012
P2MIN 99 Q 99 N 16.9943604008082 1.30600689739406
P2MIN 100 D 100 N 14.7714073027874 0.659709369616712
P2MIN 101 V 101 N 19.4159968899355 0.565496756487936
P2MIN 102 A 102 N 13.7646826875973 0.605204914694617
P2MIN 103 L 103 N 19.0342185482644 0.666735046856671
P2MIN 104 L 104 N 19.485408981918 1.23871827830787
P2MIN 105 Y 105 N 18.7875991673003 0.863766424861883
P2MIN 106 G 106 N 18.1621128279157 0.788123379733112
P2MIN 107 L 107 N 16.0851861924908 0.5988079307393
P2MIN 108 D 108 N 12.8022892348471 0.39348421438436
P2MIN 109 L 109 N 13.2476572915814 0.42271159579319
P2MIN 110 G 110 N 17.5340497662054 1.17313402357305
P2MIN 111 E 111 N 12.1780628101844 0.346826165978025
P2MIN 112 L 112 N 24.3310660971835 1.28632420280811
P2MIN 113 E 113 N 13.3951782364017 0.558126069215702
P2MIN 114 A 114 N 15.7573229955908 0.713064754549787
P2MIN 115 D 115 N 14.1223614017302 0.398157825625158
P2MIN 116 A 116 N 15.75671059125 0.562901865478676
P2MIN 117 K 117 N 17.0460870506489 0.622714179408224
P2MIN 118 L 118 N 18.2266751387557 1.12541948579863
P2MIN 119 K 119 N 14.0979134931406 0.815999897640602
P2MIN 120 D 120 N 15.3475799676519 0.809851036537557
P2MIN 121 L 121 N 17.5935482533199 1.06162100702028
P2MIN 122 V 122 N 15.9370596848627 0.496837927752268
P2MIN 123 L 123 N 18.7765189954467 0.52799502146094
P2MIN 124 E 124 N 21.6994259244179 0.848375902801319
P2MIN 125 H 125 N 24.5189792484716 1.43932992366047
P2MIN 126 L 126 N 16.5811221675792 0.652369297288299
P2MIN 127 G 127 N 15.6605021119947 0.41651989274534
P2MIN 128 E 128 N 13.9388937205188 0.286069587411336
P2MIN 129 T 129 N 13.4966615159121 0.291987579620543
P2MIN 130 P 130 N None None
P2MIN 131 V 131 N 17.9205159646657 0.619119136602859
P2MIN 132 L 132 N 16.327642237452 1.04742756368879
P2MIN 133 G 133 N None None
P2MIN 134 D 134 N 13.4197877819628 1.00825845614161
P2MIN 135 Y 135 N 15.6113396088513 0.907298392090977
P2MIN 136 F 136 N 16.4424449491816 0.648329515807888
P2MIN 137 E 137 N 18.1200045743042 1.21349635618307
P2MIN 138 W 138 N 16.4118974697424 0.72430371050578
P2MIN 139 H 139 N 16.2994674436204 1.26494019831836
P2MIN 140 G 140 N 16.8091426718602 0.629680231469536
P2MIN 141 L 141 N 19.4299485109691 1.04350815684454
P2MIN 142 Q 142 N 17.1333110224246 1.09772310609255
P2MIN 143 W 143 N 14.0160223385442 0.778370999328037
P2MIN 144 V 144 N 21.4639803289503 2.51901908432831
P2MIN 145 V 145 N 19.1925042590363 1.34866847871663
P2MIN 146 A 146 N 18.8275203818229 2.47210141481626
P2MIN 147 D 147 N 25.8272205869779 2.07046870277545
P2MIN 148 V 148 N 18.0173100647429 0.645627308481261
P2MIN 149 V 149 N 15.5572490195656 0.571617600642444
P2MIN 150 D 150 N 16.8604610639719 0.730958799256927
P2MIN 151 W 151 N 28.8939631002063 1.74290163835161
P2MIN 152 K 152 N 13.5586759248996 0.410033759777329
P2MIN 153 V 153 N 15.0092794488849 0.436620786194061
P2MIN 154 T 154 N 14.316192025426 0.527125811572883
P2MIN 155 K 155 N 20.6960166699647 1.39874172771612
P2MIN 156 I 156 N 22.3586537765208 1.6403685259608
P2MIN 157 G 157 N None None
P2MIN 158 L 158 N None None
P2MIN 159 R 159 N 20.1610352103132 2.3110806199671
P2MIN 160 E 160 N 19.0629250960522 1.2902537039313
P2MIN 161 N 161 N 26.6818265973797 3.26859479732143
P2MIN 162 L 162 N 15.6212510179209 0.815375343684001
P2MIN 163 Y 163 N 15.8188035700242 0.755445369669034
P2MIN 164 F 164 N 15.6844337738141 1.61444397530701
P2MIN 165 Q 165 N 10.439263115257 0.325289109177934
;
loop_
_Theoretical_heteronucl_T2_software.Software_ID
_Theoretical_heteronucl_T2_software.Software_label
_Theoretical_heteronucl_T2_software.Method_ID
_Theoretical_heteronucl_T2_software.Method_label
_Theoretical_heteronucl_T2_software.Entry_ID
_Theoretical_heteronucl_T2_software.Theoretical_heteronucl_T2_list_ID
7 $software_8_Relax . . 50166 1
stop_
save_