Content for NMR-STAR saveframe, spectral_peak_list_6
save_spectral_peak_list_6
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_6
_Spectral_peak_list.Entry_ID 51895
_Spectral_peak_list.ID 6
_Spectral_peak_list.Name TAK1_ccconh
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 6
_Spectral_peak_list.Experiment_name '3D C(CO)NH'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Number of dimensions 3
#INAME 1 H1
#INAME 2 N15
#INAME 3 C13
1 8.095 122.823 33.286 0 U 0.000e+000 0.00e+000 - 0 221 222 588 0
# CG-1 K474
2 8.095 122.823 53.650 0 U 0.000e+000 0.00e+000 - 0 221 222 223 0
# CA-1 K474
3 8.095 122.823 27.312 0 U 0.000e+000 0.00e+000 - 0 221 222 425 0
# CB-1 K474
4 7.841 121.403 37.907 0 U 0.000e+000 0.00e+000 - 0 89 90 393 0
# CB-1 V424
5 7.841 121.403 51.402 0 U 0.000e+000 0.00e+000 - 0 89 90 203 0
# CA-1 V424
6 8.265 122.697 53.151 0 U 0.000e+000 0.00e+000 - 0 109 110 214 0
# CA-1 R413
7 8.265 122.697 29.924 0 U 0.000e+000 0.00e+000 - 0 109 110 415 0
# CB-1 R413
8 8.328 110.303 27.014 0 U 0.000e+000 0.00e+000 - 0 5 6 324 0
# CB-1 G385
9 8.328 110.303 33.048 0 U 0.000e+000 0.00e+000 - 0 5 6 482 0
# CG-1 G385
10 8.328 110.303 53.900 0 U 0.000e+000 0.00e+000 - 0 5 6 152 0
# CA-1 G385
11 8.129 117.692 18.447 0 U 0.000e+000 0.00e+000 - 0 45 46 574 0
# CG2-1 S472
12 8.129 117.692 58.700 0 U 0.000e+000 0.00e+000 - 0 45 46 175 0
# CA-1 S472
13 8.129 117.692 66.708 0 U 0.000e+000 0.00e+000 - 0 45 46 352 0
# CB-1 S472
14 7.828 112.021 50.292 0 U 0.000e+000 0.00e+000 - 0 17 18 158 0
# CA-1 T402
15 7.828 112.021 15.747 0 U 0.000e+000 0.00e+000 - 0 17 18 328 0
# CB-1 T402
16 7.941 121.976 55.509 0 U 0.000e+000 0.00e+000 - 0 91 92 226 0
# CA-1 V462
17 7.941 121.976 60.590 0 U 0.000e+000 0.00e+000 - 0 91 92 397 0
# CB-1 V462
18 8.348 124.715 18.507 0 U 0.000e+000 0.00e+000 - 0 129 130 527 0
# CG2-1 E449
19 8.348 124.715 66.783 0 U 0.000e+000 0.00e+000 - 0 129 130 440 0
# CB-1 E449
20 8.348 124.715 58.534 0 U 0.000e+000 0.00e+000 - 0 129 130 231 0
# CA-1 E449
21 8.379 110.865 60.060 0 U 0.000e+000 0.00e+000 - 0 13 14 155 0
# CA-1 G411
22 8.379 110.865 31.192 0 U 0.000e+000 0.00e+000 - 0 13 14 477 0
# CB-1 G411
23 8.217 115.977 28.954 0 U 0.000e+000 0.00e+000 - 0 25 26 340 0
# CB-1 S461
24 8.217 115.977 47.709 0 U 0.000e+000 0.00e+000 - 0 25 26 536 0
# CD-1 S461
25 8.217 115.977 24.086 0 U 0.000e+000 0.00e+000 - 0 25 26 535 0
# CG-1 S461
26 8.217 115.977 60.448 0 U 0.000e+000 0.00e+000 - 0 25 26 167 0
# CA-1 S461
27 8.125 121.045 51.569 0 U 0.000e+000 0.00e+000 - 0 75 76 196 0
# CA-1 M392
28 8.125 121.045 37.907 0 U 0.000e+000 0.00e+000 - 0 75 76 383 0
# CB-1 M392
29 8.145 123.154 52.374 0 U 0.000e+000 0.00e+000 - 0 117 118 218 0
# CA-1 I465
30 8.145 123.154 28.716 0 U 0.000e+000 0.00e+000 - 0 117 118 541 0
# CG-1 I465
31 8.145 123.154 29.849 0 U 0.000e+000 0.00e+000 - 0 117 118 430 0
# CB-1 I465
32 8.107 121.506 26.417 0 U 0.000e+000 0.00e+000 - 0 79 80 405 0
# CB-1 V453
33 8.107 121.506 52.707 0 U 0.000e+000 0.00e+000 - 0 79 80 198 0
# CA-1 V453
34 8.107 121.506 30.556 0 U 0.000e+000 0.00e+000 - 0 79 80 530 0
# CG-1 V453
35 8.311 123.321 60.739 0 U 0.000e+000 0.00e+000 - 0 123 124 433 0
# CB-1 E473
36 8.311 123.321 55.370 0 U 0.000e+000 0.00e+000 - 0 123 124 228 0
# CA-1 E473
37 7.975 125.469 66.634 0 U 0.000e+000 0.00e+000 - 0 141 142 452 0
# CB-1 A416
38 7.975 125.469 59.161 0 U 0.000e+000 0.00e+000 - 0 141 142 237 0
# CA-1 A416
39 7.975 125.469 18.447 0 U 0.000e+000 0.00e+000 - 0 141 142 501 0
# CG2-1 A416
40 7.883 118.853 49.987 0 U 0.000e+000 0.00e+000 - 0 53 54 185 0
# CA-1 Y405
41 7.883 118.853 15.822 0 U 0.000e+000 0.00e+000 - 0 53 54 365 0
# CB-1 Y405
42 7.838 119.596 15.374 0 U 0.000e+000 0.00e+000 - 0 65 66 374 0
# CB-1 R398
43 7.838 119.596 50.958 0 U 0.000e+000 0.00e+000 - 0 65 66 191 0
# CA-1 R398
44 8.114 118.628 42.273 0 U 0.000e+000 0.00e+000 - 0 182 183 184 0
# CA-1 N420
45 8.382 123.428 40.230 0 U 0.000e+000 0.00e+000 - 0 125 126 496 0
# CD-1 K414
46 8.382 123.428 52.669 0 U 0.000e+000 0.00e+000 - 0 125 126 230 0
# CA-1 K414
47 8.382 123.428 27.870 0 U 0.000e+000 0.00e+000 - 0 125 126 481 0
# CB-1 K414
48 8.382 123.428 23.967 0 U 0.000e+000 0.00e+000 - 0 125 126 497 0
# CG-1 K414
49 8.168 116.698 27.462 0 U 0.000e+000 0.00e+000 - 0 33 34 343 0
# CB-1 S457
50 8.168 116.698 23.967 0 U 0.000e+000 0.00e+000 - 0 33 34 533 0
# CG-1 S457
51 8.168 116.698 53.345 0 U 0.000e+000 0.00e+000 - 0 33 34 169 0
# CA-1 S457
52 8.168 116.698 40.230 0 U 0.000e+000 0.00e+000 - 0 33 34 534 0
# CD-1 S457
53 7.822 121.112 50.598 0 U 0.000e+000 0.00e+000 - 0 204 205 206 0
# CA-1 A401
54 7.822 121.112 15.523 0 U 0.000e+000 0.00e+000 - 0 204 205 388 0
# CB-1 A401
55 8.038 121.440 26.013 0 U 0.000e+000 0.00e+000 - 0 575 576 579 0
# CB-1 D442
56 8.038 121.440 53.341 0 U 0.000e+000 0.00e+000 - 0 575 576 577 0
# CA-1 D442
57 8.038 121.440 30.674 0 U 0.000e+000 0.00e+000 - 0 575 576 581 0
# CG-1 D442
58 8.116 118.704 50.070 0 U 0.000e+000 0.00e+000 - 0 51 52 181 0
# CA-1 D391
59 8.116 118.704 15.896 0 U 0.000e+000 0.00e+000 - 0 51 52 362 0
# CB-1 D391
60 7.958 119.557 42.356 0 U 0.000e+000 0.00e+000 - 0 63 64 190 0
# CA-1 Q452
61 8.051 123.170 33.523 0 U 0.000e+000 0.00e+000 - 0 119 120 488 0
# CG-1 A397
62 8.051 123.170 55.370 0 U 0.000e+000 0.00e+000 - 0 119 120 224 0
# CA-1 A397
63 8.051 123.170 26.641 0 U 0.000e+000 0.00e+000 - 0 119 120 428 0
# CB-1 A397
64 8.174 122.577 55.529 0 U 0.000e+000 0.00e+000 - 0 582 583 584 0
# CA-1 86
65 8.174 122.577 27.870 0 U 0.000e+000 0.00e+000 - 0 582 583 585 0
# CB-1 86
66 7.997 120.878 42.384 0 U 0.000e+000 0.00e+000 - 0 73 74 195 0
# CA-1 H412
67 8.191 117.745 18.269 0 U 0.000e+000 0.00e+000 - 0 176 177 524 0
# CG1-1 T446
68 8.191 117.745 29.551 0 U 0.000e+000 0.00e+000 - 0 176 177 468 0
# CB-1 T446
69 8.191 117.745 59.227 0 U 0.000e+000 0.00e+000 - 0 176 177 178 0
# CA-1 T446
70 8.191 117.745 17.795 0 U 0.000e+000 0.00e+000 - 0 176 177 525 0
# CG2-1 T446
71 8.092 122.724 51.556 0 U 0.000e+000 0.00e+000 - 0 115 116 220 0
# CA-1 L443
72 8.092 122.724 37.758 0 U 0.000e+000 0.00e+000 - 0 115 116 479 0
# CB-1 L443
73 8.181 126.128 14.293 0 U 0.000e+000 0.00e+000 - 0 143 144 550 0
# CG2-1 V428
74 8.181 126.128 35.371 0 U 0.000e+000 0.00e+000 - 0 143 144 454 0
# CB-1 V428
75 8.181 126.128 9.604 0 U 0.000e+000 0.00e+000 - 0 143 144 551 0
# CD1-1 V428
76 8.181 126.128 24.205 0 U 0.000e+000 0.00e+000 - 0 143 144 549 0
# CG1-1 V428
77 8.181 126.128 58.006 0 U 0.000e+000 0.00e+000 - 0 143 144 238 0
# CA-1 V428
78 7.696 118.044 42.495 0 U 0.000e+000 0.00e+000 - 0 57 58 187 0
# CA-1 29
79 8.244 122.565 60.441 0 U 0.000e+000 0.00e+000 - 0 107 108 417 0
# CB-1 E394
80 8.244 122.565 56.647 0 U 0.000e+000 0.00e+000 - 0 107 108 215 0
# CA-1 E394
81 8.012 115.810 21.712 0 U 0.000e+000 0.00e+000 - 0 29 30 498 0
# CG-1 T415
82 8.012 115.810 53.622 0 U 0.000e+000 0.00e+000 - 0 29 30 165 0
# CA-1 T415
83 8.012 115.810 38.806 0 U 0.000e+000 0.00e+000 - 0 29 30 500 0
# CE-1 T415
84 8.012 115.810 26.104 0 U 0.000e+000 0.00e+000 - 0 29 30 499 0
# CD-1 T415
85 8.012 115.810 29.849 0 U 0.000e+000 0.00e+000 - 0 29 30 337 0
# CB-1 T415
86 8.125 110.627 55.343 0 U 0.000e+000 0.00e+000 - 0 9 10 154 0
# CA-1 G469
87 8.125 110.627 60.892 0 U 0.000e+000 0.00e+000 - 0 9 10 320 0
# CB-1 G469
88 8.041 121.436 30.793 0 U 0.000e+000 0.00e+000 - 0 207 208 517 0
# CG-1 D423
89 8.041 121.436 39.273 0 U 0.000e+000 0.00e+000 - 0 207 208 471 0
# CB-1 D423
90 8.041 121.436 21.890 0 U 0.000e+000 0.00e+000 - 0 207 208 518 0
# CD1-1 D423
91 8.041 121.436 20.109 0 U 0.000e+000 0.00e+000 - 0 207 208 519 0
# CD2-1 D423
92 8.041 121.436 51.657 0 U 0.000e+000 0.00e+000 - 0 207 208 209 0
# CA-1 D423
93 8.180 118.326 42.578 0 U 0.000e+000 0.00e+000 - 0 47 48 179 0
# CA-1 N432
94 8.091 121.642 60.814 0 U 0.000e+000 0.00e+000 - 0 81 82 404 0
# CB-1 F418
95 8.091 121.642 55.287 0 U 0.000e+000 0.00e+000 - 0 81 82 199 0
# CA-1 F418
96 8.194 117.768 55.394 0 U 0.000e+000 0.00e+000 - 0 570 571 572 0
# CA-1 84
97 8.123 125.165 58.478 0 U 0.000e+000 0.00e+000 - 0 135 136 234 0
# CA-1 L422
98 8.123 125.165 9.841 0 U 0.000e+000 0.00e+000 - 0 135 136 504 0
# CD1-1 L422
99 8.123 125.165 24.027 0 U 0.000e+000 0.00e+000 - 0 135 136 502 0
# CG1-1 L422
100 8.123 125.165 35.371 0 U 0.000e+000 0.00e+000 - 0 135 136 446 0
# CB-1 L422
101 8.123 125.165 14.471 0 U 0.000e+000 0.00e+000 - 0 135 136 503 0
# CG2-1 L422
102 8.340 122.096 27.819 0 U 0.000e+000 0.00e+000 - 0 589 590 592 0
# CB-1 87
103 8.340 122.096 60.115 0 U 0.000e+000 0.00e+000 - 0 589 590 591 0
# CA-1 87
104 8.378 117.868 40.230 0 U 0.000e+000 0.00e+000 - 0 39 40 512 0
# CD-1 S439
105 8.378 117.868 27.760 0 U 0.000e+000 0.00e+000 - 0 39 40 349 0
# CB-1 S439
106 8.378 117.868 53.234 0 U 0.000e+000 0.00e+000 - 0 39 40 172 0
# CA-1 S439
107 8.378 117.868 24.145 0 U 0.000e+000 0.00e+000 - 0 39 40 513 0
# CG-1 S439
108 8.399 108.988 47.531 0 U 0.000e+000 0.00e+000 - 0 1 2 529 0
# CD-1 G451
109 8.399 108.988 24.442 0 U 0.000e+000 0.00e+000 - 0 1 2 528 0
# CG-1 G451
110 8.399 108.988 28.879 0 U 0.000e+000 0.00e+000 - 0 1 2 322 0
# CB-1 G451
111 8.399 108.988 60.670 0 U 0.000e+000 0.00e+000 - 0 1 2 150 0
# CA-1 G451
112 7.944 122.620 59.644 0 U 0.000e+000 0.00e+000 - 0 93 94 225 0
# CA-1 V445
113 7.944 122.620 66.559 0 U 0.000e+000 0.00e+000 - 0 93 94 431 0
# CB-1 V445
114 7.944 122.620 18.447 0 U 0.000e+000 0.00e+000 - 0 93 94 520 0
# CG2-1 V445
115 8.372 123.402 27.835 0 U 0.000e+000 0.00e+000 - 0 127 128 474 0
# CB-1 R438
116 8.372 123.402 40.290 0 U 0.000e+000 0.00e+000 - 0 127 128 510 0
# CD-1 R438
117 8.372 123.402 53.040 0 U 0.000e+000 0.00e+000 - 0 127 128 229 0
# CA-1 R438
118 8.372 123.402 24.027 0 U 0.000e+000 0.00e+000 - 0 127 128 511 0
# CG-1 R438
119 8.312 119.310 17.438 0 U 0.000e+000 0.00e+000 - 0 59 60 532 0
# CG2-1 S454
120 8.312 119.310 59.588 0 U 0.000e+000 0.00e+000 - 0 59 60 188 0
# CA-1 S454
121 8.312 119.310 17.913 0 U 0.000e+000 0.00e+000 - 0 59 60 531 0
# CG1-1 S454
122 8.312 119.310 29.476 0 U 0.000e+000 0.00e+000 - 0 59 60 370 0
# CB-1 S454
123 8.275 108.981 35.520 0 U 0.000e+000 0.00e+000 - 0 3 4 323 0
# CB-1 G433
124 8.275 108.981 50.181 0 U 0.000e+000 0.00e+000 - 0 3 4 151 0
# CA-1 G433
125 8.361 121.801 47.471 0 U 0.000e+000 0.00e+000 - 0 95 96 548 0
# CD-1 R436
126 8.361 121.801 24.264 0 U 0.000e+000 0.00e+000 - 0 95 96 547 0
# CG-1 R436
127 8.361 121.801 29.129 0 U 0.000e+000 0.00e+000 - 0 95 96 408 0
# CB-1 R436
128 8.361 121.801 60.088 0 U 0.000e+000 0.00e+000 - 0 95 96 210 0
# CA-1 R436
129 8.329 117.138 53.040 0 U 0.000e+000 0.00e+000 - 0 37 38 171 0
# CA-1 S393
130 8.329 117.138 29.012 0 U 0.000e+000 0.00e+000 - 0 37 38 483 0
# CG-1 S393
131 8.329 117.138 29.252 0 U 0.000e+000 0.00e+000 - 0 37 38 347 0
# CB-1 S393
132 8.071 119.453 42.107 0 U 0.000e+000 0.00e+000 - 0 61 62 189 0
# CA-1 K386
133 8.345 110.920 60.809 0 U 0.000e+000 0.00e+000 - 0 11 12 321 0
# CB-1 G431
134 8.345 110.920 55.370 0 U 0.000e+000 0.00e+000 - 0 11 12 156 0
# CA-1 G431
135 8.346 122.541 52.374 0 U 0.000e+000 0.00e+000 - 0 101 102 212 0
# CA-1 E384
136 8.346 122.541 29.252 0 U 0.000e+000 0.00e+000 - 0 101 102 472 0
# CB-1 E384
137 7.810 126.855 27.096 0 U 0.000e+000 0.00e+000 - 0 147 148 458 0
# CB-1 I427
138 7.810 126.855 33.286 0 U 0.000e+000 0.00e+000 - 0 147 148 556 0
# CG-1 I427
139 7.810 126.855 53.686 0 U 0.000e+000 0.00e+000 - 0 147 148 149 0
# CA-1 I427
140 8.012 121.337 35.818 0 U 0.000e+000 0.00e+000 - 0 83 84 400 0
# CB-1 I421
141 8.012 121.337 50.154 0 U 0.000e+000 0.00e+000 - 0 83 84 200 0
# CA-1 I421
142 8.310 125.492 55.426 0 U 0.000e+000 0.00e+000 - 0 137 138 235 0
# CA-1 A390
143 8.310 125.492 60.963 0 U 0.000e+000 0.00e+000 - 0 137 138 448 0
# CB-1 A390
144 8.156 116.993 29.625 0 U 0.000e+000 0.00e+000 - 0 35 36 345 0
# CB-1 S389
145 8.156 116.993 52.374 0 U 0.000e+000 0.00e+000 - 0 35 36 170 0
# CA-1 S389
146 8.067 114.863 19.991 0 U 0.000e+000 0.00e+000 - 0 23 24 523 0
# CD2-1 T444
147 8.067 114.863 23.671 0 U 0.000e+000 0.00e+000 - 0 23 24 521 0
# CG-1 T444
148 8.067 114.863 38.877 0 U 0.000e+000 0.00e+000 - 0 23 24 333 0
# CB-1 T444
149 8.067 114.863 52.374 0 U 0.000e+000 0.00e+000 - 0 23 24 161 0
# CA-1 T444
150 8.067 114.863 22.009 0 U 0.000e+000 0.00e+000 - 0 23 24 522 0
# CD1-1 T444
151 8.300 123.050 53.015 0 U 0.000e+000 0.00e+000 - 0 121 122 227 0
# CA-1 R437
152 8.300 123.050 27.838 0 U 0.000e+000 0.00e+000 - 0 121 122 435 0
# CB-1 R437
153 8.300 123.050 24.027 0 U 0.000e+000 0.00e+000 - 0 121 122 508 0
# CG-1 R437
154 8.300 123.050 40.290 0 U 0.000e+000 0.00e+000 - 0 121 122 509 0
# CD-1 R437
155 7.763 117.552 35.669 0 U 0.000e+000 0.00e+000 - 0 55 56 367 0
# CB-1 S406
156 7.763 117.552 55.176 0 U 0.000e+000 0.00e+000 - 0 55 56 186 0
# CA-1 S406
157 8.290 120.543 14.352 0 U 0.000e+000 0.00e+000 - 0 71 72 506 0
# CG2-1 S430
158 8.290 120.543 9.188 0 U 0.000e+000 0.00e+000 - 0 71 72 507 0
# CD1-1 S430
159 8.290 120.543 57.812 0 U 0.000e+000 0.00e+000 - 0 71 72 194 0
# CA-1 S430
160 8.290 120.543 35.296 0 U 0.000e+000 0.00e+000 - 0 71 72 380 0
# CB-1 S430
161 8.290 120.543 23.967 0 U 0.000e+000 0.00e+000 - 0 71 72 505 0
# CG1-1 S430
162 8.167 110.164 36.341 0 U 0.000e+000 0.00e+000 - 0 7 8 325 0
# CB-1 G419
163 8.167 110.164 55.010 0 U 0.000e+000 0.00e+000 - 0 7 8 153 0
# CA-1 G419
164 8.249 122.350 60.325 0 U 0.000e+000 0.00e+000 - 0 105 106 561 0
# CB-1 S455
165 8.249 122.350 55.165 0 U 0.000e+000 0.00e+000 - 0 105 106 560 0
# CA-1 S455
166 8.013 124.343 54.926 0 U 0.000e+000 0.00e+000 - 0 133 134 233 0
# CA-1 K407
167 8.013 124.343 60.814 0 U 0.000e+000 0.00e+000 - 0 133 134 444 0
# CB-1 K407
168 8.298 121.315 47.768 0 U 0.000e+000 0.00e+000 - 0 77 78 554 0
# CD-1 E426
169 8.298 121.315 29.252 0 U 0.000e+000 0.00e+000 - 0 77 78 385 0
# CB-1 E426
170 8.298 121.315 24.086 0 U 0.000e+000 0.00e+000 - 0 77 78 555 0
# CG-1 E426
171 8.298 121.315 60.115 0 U 0.000e+000 0.00e+000 - 0 77 78 197 0
# CA-1 E426
172 8.351 122.280 27.707 0 U 0.000e+000 0.00e+000 - 0 99 100 557 0
# CG-1 M388
173 8.351 122.280 29.131 0 U 0.000e+000 0.00e+000 - 0 99 100 412 0
# CB-1 M388
174 8.351 122.280 53.437 0 U 0.000e+000 0.00e+000 - 0 99 100 213 0
# CA-1 M388
175 8.351 122.280 47.412 0 U 0.000e+000 0.00e+000 - 0 99 100 558 0
# CD-1 M388
176 8.257 126.275 66.932 0 U 0.000e+000 0.00e+000 - 0 145 146 456 0
# CB-1 A404
177 8.257 126.275 59.116 0 U 0.000e+000 0.00e+000 - 0 145 146 239 0
# CA-1 A404
178 8.257 126.275 18.388 0 U 0.000e+000 0.00e+000 - 0 145 146 494 0
# CG2-1 A404
179 8.158 118.669 55.315 0 U 0.000e+000 0.00e+000 - 0 271 272 273 0
# CA-1 S459
180 8.158 118.669 60.664 0 U 0.000e+000 0.00e+000 - 0 271 272 469 0
# CB-1 S459
181 7.847 115.977 66.634 0 U 0.000e+000 0.00e+000 - 0 31 32 466 0
# CB-1 T403
182 7.847 115.977 59.755 0 U 0.000e+000 0.00e+000 - 0 31 32 166 0
# CA-1 T403
183 7.847 115.977 18.388 0 U 0.000e+000 0.00e+000 - 0 31 32 495 0
# CG2-1 T403
184 8.297 111.380 59.144 0 U 0.000e+000 0.00e+000 - 0 15 16 157 0
# CA-1 G447
185 8.297 111.380 18.447 0 U 0.000e+000 0.00e+000 - 0 15 16 526 0
# CG2-1 G447
186 8.297 111.380 66.634 0 U 0.000e+000 0.00e+000 - 0 15 16 326 0
# CB-1 G447
187 7.971 121.522 35.371 0 U 0.000e+000 0.00e+000 - 0 85 86 398 0
# CB-1 E396
188 7.971 121.522 25.392 0 U 0.000e+000 0.00e+000 - 0 85 86 485 0
# CG1-1 E396
189 7.971 121.522 9.841 0 U 0.000e+000 0.00e+000 - 0 85 86 486 0
# CD1-1 E396
190 7.971 121.522 14.233 0 U 0.000e+000 0.00e+000 - 0 85 86 487 0
# CG2-1 E396
191 7.971 121.522 60.365 0 U 0.000e+000 0.00e+000 - 0 85 86 201 0
# CA-1 E396
192 8.174 122.644 53.168 0 U 0.000e+000 0.00e+000 - 0 111 112 217 0
# CA-1 R456
193 8.174 122.644 60.686 0 U 0.000e+000 0.00e+000 - 0 111 112 421 0
# CB-1 R456
194 8.041 125.453 25.036 0 U 0.000e+000 0.00e+000 - 0 139 140 491 0
# CG1-1 A400
195 8.041 125.453 59.949 0 U 0.000e+000 0.00e+000 - 0 139 140 236 0
# CA-1 A400
196 8.041 125.453 35.296 0 U 0.000e+000 0.00e+000 - 0 139 140 450 0
# CB-1 A400
197 8.041 125.453 14.055 0 U 0.000e+000 0.00e+000 - 0 139 140 492 0
# CG2-1 A400
198 8.041 125.453 10.138 0 U 0.000e+000 0.00e+000 - 0 139 140 493 0
# CD1-1 A400
199 8.203 114.174 60.310 0 U 0.000e+000 0.00e+000 - 0 21 22 160 0
# CA-1 T471
200 8.203 114.174 46.819 0 U 0.000e+000 0.00e+000 - 0 21 22 587 0
# CD-1 T471
201 8.203 114.174 29.103 0 U 0.000e+000 0.00e+000 - 0 21 22 331 0
# CB-1 T471
202 8.203 114.174 24.027 0 U 0.000e+000 0.00e+000 - 0 21 22 586 0
# CG-1 T471
203 8.167 118.713 24.086 0 U 0.000e+000 0.00e+000 - 0 49 50 542 0
# CG1-1 T466
204 8.167 118.713 9.722 0 U 0.000e+000 0.00e+000 - 0 49 50 544 0
# CD1-1 T466
205 8.167 118.713 35.445 0 U 0.000e+000 0.00e+000 - 0 49 50 359 0
# CB-1 T466
206 8.167 118.713 58.090 0 U 0.000e+000 0.00e+000 - 0 49 50 180 0
# CA-1 T466
207 8.167 118.713 14.293 0 U 0.000e+000 0.00e+000 - 0 49 50 543 0
# CG2-1 T466
208 8.065 116.127 66.708 0 U 0.000e+000 0.00e+000 - 0 27 28 465 0
# CB-1 T467
209 8.065 116.127 58.534 0 U 0.000e+000 0.00e+000 - 0 27 28 168 0
# CA-1 T467
210 8.065 116.127 18.329 0 U 0.000e+000 0.00e+000 - 0 27 28 545 0
# CG2-1 T467
211 8.260 126.246 18.566 0 U 0.000e+000 0.00e+000 - 0 459 460 552 0
# CG1-1 I429
212 8.260 126.246 29.625 0 U 0.000e+000 0.00e+000 - 0 459 460 463 0
# CB-1 I429
213 8.260 126.246 59.015 0 U 0.000e+000 0.00e+000 - 0 459 460 464 0
# CA-1 I429
214 8.260 126.246 17.854 0 U 0.000e+000 0.00e+000 - 0 459 460 553 0
# CG2-1 I429
215 7.853 121.188 40.290 0 U 0.000e+000 0.00e+000 - 0 87 88 490 0
# CD-1 I399
216 7.853 121.188 24.145 0 U 0.000e+000 0.00e+000 - 0 87 88 489 0
# CG-1 I399
217 7.853 121.188 27.088 0 U 0.000e+000 0.00e+000 - 0 87 88 394 0
# CB-1 I399
218 7.853 121.188 54.815 0 U 0.000e+000 0.00e+000 - 0 87 88 202 0
# CA-1 I399
219 8.179 122.867 35.594 0 U 0.000e+000 0.00e+000 - 0 113 114 423 0
# CB-1 Q441
220 8.179 122.867 58.811 0 U 0.000e+000 0.00e+000 - 0 113 114 219 0
# CA-1 Q441
221 8.179 122.867 24.383 0 U 0.000e+000 0.00e+000 - 0 113 114 514 0
# CG1-1 Q441
222 8.179 122.867 10.019 0 U 0.000e+000 0.00e+000 - 0 113 114 516 0
# CD1-1 Q441
223 8.179 122.867 14.411 0 U 0.000e+000 0.00e+000 - 0 113 114 515 0
# CG2-1 Q441
224 8.057 114.904 49.599 0 U 0.000e+000 0.00e+000 - 0 162 163 164 0
# CA-1 S417
225 8.057 114.904 16.120 0 U 0.000e+000 0.00e+000 - 0 162 163 335 0
# CB-1 S417
226 7.929 120.185 42.384 0 U 0.000e+000 0.00e+000 - 0 67 68 192 0
# CA-1 Q434
227 7.893 112.847 42.384 0 U 0.000e+000 0.00e+000 - 0 19 20 159 0
# CA-1 T448
228 8.389 122.342 53.178 0 U 0.000e+000 0.00e+000 - 0 97 98 211 0
# CA-1 M464
229 8.389 122.342 23.849 0 U 0.000e+000 0.00e+000 - 0 97 98 539 0
# CG-1 M464
230 8.389 122.342 40.290 0 U 0.000e+000 0.00e+000 - 0 97 98 540 0
# CD-1 M464
231 8.389 122.342 27.611 0 U 0.000e+000 0.00e+000 - 0 97 98 475 0
# CB-1 M464
232 8.190 124.799 29.625 0 U 0.000e+000 0.00e+000 - 0 131 132 442 0
# CB-1 R463
233 8.190 124.799 17.973 0 U 0.000e+000 0.00e+000 - 0 131 132 537 0
# CG1-1 R463
234 8.190 124.799 59.338 0 U 0.000e+000 0.00e+000 - 0 131 132 232 0
# CA-1 R463
235 8.190 124.799 17.438 0 U 0.000e+000 0.00e+000 - 0 131 132 538 0
# CG2-1 R463
236 7.745 120.376 26.417 0 U 0.000e+000 0.00e+000 - 0 69 70 378 0
# CB-1 I395
237 7.745 120.376 33.048 0 U 0.000e+000 0.00e+000 - 0 69 70 484 0
# CG-1 I395
238 7.745 120.376 55.259 0 U 0.000e+000 0.00e+000 - 0 69 70 193 0
# CA-1 I395
239 8.237 117.956 55.426 0 U 0.000e+000 0.00e+000 - 0 43 44 174 0
# CA-1 S458
240 8.237 117.956 60.590 0 U 0.000e+000 0.00e+000 - 0 43 44 467 0
# CB-1 S458
241 8.144 122.294 55.037 0 U 0.000e+000 0.00e+000 - 0 103 104 216 0
# CA-1 I440
242 8.144 122.294 60.963 0 U 0.000e+000 0.00e+000 - 0 103 104 419 0
# CB-1 I440
243 8.194 117.833 66.708 0 U 0.000e+000 0.00e+000 - 0 41 42 355 0
# CB-1 S468
244 8.194 117.833 58.725 0 U 0.000e+000 0.00e+000 - 0 41 42 173 0
# CA-1 S468
245 8.194 117.833 18.091 0 U 0.000e+000 0.00e+000 - 0 41 42 546 0
# CG2-1 S468
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 H . . . Hz . . . . . . 51895 6
2 . . C 13 C . . . Hz . . . . . . 51895 6
3 . . N 15 N . . . Hz . . . . . . 51895 6
stop_
save_