Content for NMR-STAR saveframe, spectral_peak_list_1
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 35015
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_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 14
_Spectral_peak_list.Experiment_name '3D 1H-15N NOESY'
_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
;
Assignment w1 w2 w3 Volume
H3N-S2HA-H3H 121.266 4.484 8.508 1 --
D5N-P4HB2-D5H 120.892 1.934 8.751 2 --
D5N-P4QG-D5H 120.892 1.934 8.751 2 --
D5N-P4HB3-D5H 120.883 2.242 8.751 2 --
D5N-D5HB2-D5H 120.888 2.637 8.751 1 --
D5N-D5HB3-D5H 120.898 2.714 8.753 1 --
D5N-P4HD2-D5H 120.895 3.535 8.752 1 --
D5N-P4HD3-D5H 120.898 3.714 8.753 1 --
D5N-P4HA-D5H 120.891 4.447 8.750 1 --
D5N-D5HA-D5H 120.894 4.638 8.752 1 --
D5N-N6H-D5H 120.891 8.235 8.751 1 --
D5N-D9H-D5H 120.891 8.235 8.751 1 --
N6N-D5H-N6H 117.951 8.756 8.223 1 --
N6N-N6HD22-N6H 117.986 7.644 8.224 1 --
N6N-N6HD21-N6H 117.944 6.865 8.223 1 --
N6N-D5HA-N6H 117.962 4.633 8.224 1 --
N6N-N6HA-N6H 117.960 4.732 8.223 1 --
Q24N-D22HA-Q24H 117.958 4.473 8.225 1 --
N6N-D5HB3-N6H 117.958 2.703 8.223 1 --
N6N-N6HB2-N6H 117.958 2.830 8.225 2 --
Q24N-R26HG3-Q24H 117.885 1.707 8.222 1 --
N6N-P4HB2-N6H 117.958 1.932 8.224 2 --
N6N-A8QB-N6H 117.958 1.416 8.224 1 --
D7N-N6H-D7H 120.628 8.200 8.366 1 --
D7N-A8H-D7H 120.628 8.200 8.366 1 --
D7N-N6H-D7H 120.632 8.225 8.365 1 --
D7N-N6HD22-D7H 120.620 7.643 8.368 1 --
D7N-N6HA-D7H 120.634 4.731 8.366 1 --
D7N-D7HA-D7H 120.631 4.477 8.366 1 --
D7N-A8HA-D7H 120.627 4.222 8.366 1 --
D7N-D7HB3-D7H 120.634 2.664 8.366 1 --
D7N-N6HB2-D7H 120.629 2.831 8.366 3 --
D7N-N6HB3-D7H 120.629 2.831 8.366 3 --
D7N-A8QB-D7H 120.649 1.400 8.365 1 --
D7N-L10QD2-D7H 120.681 0.703 8.364 2 --
A8N-D7H-A8H 123.236 8.371 8.171 1 --
A8N-L10H-A8H 123.242 8.066 8.171 1 --
A8N-D7HA-A8H 123.242 4.478 8.172 1 --
A8N-A8HA-A8H 123.238 4.224 8.172 1 --
L50N-E49HA-L50H 123.238 4.224 8.172 1 --
R39N-R39HA-R39H 123.293 4.342 8.172 1 --
R39N-A40HA-R39H 123.293 4.342 8.172 1 --
A8N-N6HB2-A8H 123.236 2.812 8.171 3 --
A8N-D7HB2-A8H 123.239 2.674 8.172 1 --
A8N-D7HB3-A8H 123.239 2.674 8.172 1 --
R39N-R39HB2-R39H 123.262 1.749 8.176 1 --
A8N-A8QB-A8H 123.240 1.401 8.172 1 --
A8N-L10QD2-A8H 123.240 0.674 8.171 2 --
D9N-L10QD2-D9H 119.895 0.673 8.214 2 --
D9N-A8QB-D9H 119.881 1.400 8.214 1 --
D9N-P4HB2-D9H 119.887 1.925 8.214 2 --
D9N-D9HB2-D9H 119.882 2.707 8.214 2 --
D9N-D9HB3-D9H 119.914 2.762 8.216 2 --
D9N-A8HA-D9H 119.884 4.222 8.214 1 --
D9N-D9HA-D9H 119.881 4.547 8.214 1 --
D9N-A12H-D9H 119.922 7.845 8.214 1 --
D9N-L10H-D9H 119.888 8.113 8.214 1 --
D9N-D7H-D9H 119.879 8.344 8.213 1 --
L10N-D9H-L10H 122.561 8.212 8.094 1 --
L10N-A12H-L10H 122.550 7.834 8.095 1 --
L10N-L13H-L10H 122.586 7.740 8.094 1 --
L10N-D7H-L10H 122.514 8.379 8.090 1 --
L10N-D9HA-L10H 122.562 4.546 8.095 1 --
L10N-D7HA-L10H 122.561 4.477 8.096 1 --
L10N-L10HA-L10H 122.548 4.131 8.095 1 --
L10N-A8HA-L10H 122.585 4.229 8.095 1 --
L10N-D9HB2-L10H 122.553 2.710 8.095 2 --
L10N-L10HB2-L10H 122.551 1.923 8.095 2 --
L10N-L10HG-L10H 122.556 1.715 8.095 1 --
L10N-L10HB3-L10H 122.563 1.539 8.095 2 --
L10N-A8QB-L10H 122.565 1.410 8.095 1 --
L10N-L10QD2-L10H 122.557 0.671 8.095 2 --
D11N-L14QD2-D11H 118.989 0.966 8.133 2 --
D11N-L10QD2-D11H 118.978 0.680 8.133 2 --
D11N-L10HB2-D11H 118.982 1.924 8.133 2 --
D11N-L10HG-D11H 118.980 1.715 8.132 1 --
D11N-L14HG-D11H 118.980 1.715 8.132 1 --
D11N-L10HB3-D11H 118.985 1.529 8.133 2 --
D11N-A8QB-D11H 118.972 1.405 8.133 1 --
D11N-L14HB2-D11H 118.983 2.113 8.135 2 --
D11N-D11HB3-D11H 118.980 2.729 8.133 1 --
D11N-D11HB2-D11H 118.983 2.670 8.137 1 --
D11N-A8HA-D11H 118.990 4.221 8.132 1 --
D11N-L10HA-D11H 118.973 4.135 8.133 1 --
D11N-D11HA-D11H 118.982 4.464 8.133 1 --
D11N-D9HA-D11H 118.983 4.533 8.136 1 --
D11N-L13H-D11H 118.983 7.735 8.135 1 --
D11N-A12H-D11H 118.982 7.836 8.133 1 --
A12N-D11H-A12H 121.382 8.140 7.825 1 --
A12N-L13H-A12H 121.390 7.727 7.825 1 --
A12N-L10HA-A12H 121.380 4.112 7.824 1 --
A12N-A12HA-A12H 121.383 4.220 7.825 1 --
A12N-D11HA-A12H 121.384 4.464 7.825 1 --
A12N-D9HA-A12H 121.388 4.537 7.825 1 --
A12N-D11HB3-A12H 121.376 2.726 7.826 1 --
A12N-L14HB2-A12H 121.396 2.123 7.824 2 --
A12N-L13HB3-A12H 121.399 1.966 7.824 1 --
A12N-A12QB-A12H 121.385 1.519 7.825 1 --
L13N-L13QD1-L13H 120.130 0.927 7.734 1 --
L13N-L13QD2-L13H 120.130 0.927 7.734 1 --
L13N-L13HB2-L13H 120.132 1.692 7.734 1 --
L13N-A12QB-L13H 120.130 1.520 7.733 1 --
L13N-L13HB3-L13H 120.130 1.991 7.733 1 --
L13N-L14HB2-L13H 120.129 2.122 7.733 2 --
L13N-L13HG-L13H 120.128 1.755 7.736 1 --
L13N-D16HB2-L13H 120.136 2.868 7.733 1 --
L13N-L14HA-L13H 120.158 3.736 7.734 1 --
L13N-L13HA-L13H 120.127 4.235 7.733 1 --
L13N-L10HA-L13H 120.133 4.130 7.733 1 --
L13N-D11HA-L13H 120.121 4.471 7.734 1 --
L13N-D9HA-L13H 120.128 4.520 7.737 1 --
L13N-L14H-L13H 120.136 8.144 7.733 1 --
L13N-D16H-L13H 120.106 8.274 7.733 1 --
L13N-A12H-L13H 120.125 7.847 7.732 1 --
L14N-D15H-L14H 120.491 8.016 8.135 1 --
L14N-D16H-L14H 120.504 8.272 8.137 1 --
L14N-A12H-L14H 120.467 7.849 8.133 1 --
L14N-L13H-L14H 120.492 7.741 8.135 1 --
L14N-F95QE-L14H 120.476 7.098 8.135 1 --
L14N-F95HZ-L14H 120.553 7.303 8.135 1 --
L14N-D11HA-L14H 120.496 4.463 8.134 1 --
L14N-L13HA-L14H 120.501 4.236 8.135 1 --
L14N-L10HA-L14H 120.492 4.136 8.132 1 --
E23N-E23HA-E23H 120.492 4.136 8.132 1 --
L14N-L14HA-L14H 120.488 3.744 8.135 1 --
L14N-C17HB3-L14H 120.505 3.115 8.134 2 --
L14N-D16HB2-L14H 120.460 2.897 8.137 1 --
L14N-D15HB3-L14H 120.485 2.721 8.135 1 --
L14N-L14HB2-L14H 120.486 2.122 8.135 2 --
L14N-L13HB3-L14H 120.489 1.995 8.135 1 --
L14N-L14HG-L14H 120.488 1.735 8.135 2 --
L14N-L14HB3-L14H 120.486 1.522 8.135 2 --
L14N-L13QD1-L14H 120.495 0.963 8.135 1 --
L14N-L14QD2-L14H 120.495 0.963 8.135 1 --
L14N-L14QD1-L14H 120.488 0.678 8.134 2 --
L14N-L99QD2-L14H 120.496 0.060 8.136 2 --
D15N-L99QD2-D15H 118.551 0.056 7.994 2 --
D15N-L14QD2-D15H 118.537 0.965 7.994 2 --
D15N-L18QD2-D15H 118.567 0.697 7.994 2 --
D15N-L14HB2-D15H 118.556 2.127 7.994 2 --
D15N-L18HB2-D15H 118.570 1.979 7.996 1 --
D15N-K125HB3-D15H 118.570 1.979 7.996 1 --
D15N-L14HG-D15H 118.556 1.733 7.994 1 --
D15N-L14HB3-D15H 118.567 1.520 7.994 2 --
D15N-D16HB2-D15H 118.555 2.877 7.994 1 --
D15N-K125QE-D15H 118.555 2.877 7.994 1 --
D15N-D15HB3-D15H 118.569 2.742 7.995 1 --
D15N-D15HB2-D15H 118.562 2.646 7.994 1 --
D15N-L14HA-D15H 118.524 3.745 7.994 1 --
D15N-D15HA-D15H 118.564 4.391 7.995 1 --
D15N-A12HA-D15H 118.556 4.225 7.994 1 --
D15N-L18H-D15H 118.588 8.619 7.994 1 --
D15N-D16H-D15H 118.578 8.300 7.995 1 --
D15N-L14H-D15H 118.614 8.123 7.995 1 --
D15N-L13H-D15H 118.545 7.728 7.993 1 --
D16N-D15H-D16H 120.025 8.008 8.293 1 --
D16N-N19HD21-D16H 119.993 7.834 8.294 1 --
D16N-L18H-D16H 120.027 8.611 8.294 1 --
D16N-C17H-D16H 120.036 8.492 8.294 1 --
D16N-N19HD22-D16H 120.048 6.954 8.292 1 --
D16N-D16HA-D16H 120.022 4.486 8.293 1 --
D16N-D15HA-D16H 120.019 4.385 8.294 1 --
D16N-L13HA-D16H 120.024 4.237 8.294 1 --
E49N-E49HA-E49H 120.024 4.237 8.294 1 --
D16N-L14HA-D16H 120.042 3.740 8.296 1 --
D16N-C17HB3-D16H 120.057 3.086 8.292 2 --
D16N-D16HB3-D16H 120.024 2.899 8.293 1 --
D16N-D15HB3-D16H 120.024 2.745 8.293 1 --
D16N-D15HB2-D16H 120.030 2.643 8.294 1 --
D16N-L14HB2-D16H 120.033 2.123 8.293 2 --
D16N-L18HB2-D16H 119.999 1.972 8.294 2 --
D16N-A12QB-D16H 120.024 1.519 8.293 1 --
D16N-L14HB3-D16H 120.024 1.519 8.293 1 --
D16N-L13QD1-D16H 120.023 0.929 8.293 1 --
D16N-L18QD2-D16H 120.001 0.718 8.296 1 --
D16N-L99QD2-D16H 119.983 0.070 8.291 2 --
C17N-L13QD1-C17H 117.644 0.935 8.484 1 --
C17N-L14QD1-C17H 117.667 0.703 8.486 2 --
C17N-L18QD2-C17H 117.667 0.703 8.486 2 --
C17N-L18QD1-C17H 117.645 0.448 8.488 1 --
C17N-L99QD2-C17H 117.644 0.063 8.484 2 --
C17N-L18HB2-C17H 117.671 1.954 8.487 2 --
C17N-L18HG-C17H 117.659 1.855 8.485 1 --
C17N-L13HG-C17H 117.650 1.739 8.485 1 --
C17N-L14HB3-C17H 117.668 1.518 8.484 2 --
C17N-C17HB3-C17H 117.650 3.102 8.484 2 --
C17N-D16HB2-C17H 117.654 2.881 8.485 3 --
C17N-D16HB3-C17H 117.654 2.881 8.485 3 --
C17N-C17HB2-C17H 117.653 2.647 8.485 2 --
C17N-D16HA-C17H 117.660 4.485 8.484 1 --
C17N-D15HA-C17H 117.657 4.386 8.485 1 --
C17N-C17HA-C17H 117.657 4.247 8.485 1 --
C17N-L18HA-C17H 117.621 4.026 8.486 1 --
C17N-L14HA-C17H 117.674 3.743 8.486 1 --
C17N-L18H-C17H 117.658 8.621 8.484 1 --
C17N-D16H-C17H 117.654 8.300 8.485 1 --
C17N-L14H-C17H 117.648 8.157 8.484 1 --
C17N-D15H-C17H 117.661 8.006 8.486 1 --
C17N-F95HZ-C17H 117.675 7.297 8.487 1 --
C17N-F95QD-C17H 117.632 7.072 8.480 1 --
L18N-F95HZ-L18H 122.096 7.298 8.616 1 --
L18N-F95QE-L18H 122.105 7.129 8.614 1 --
L18N-N19HD22-L18H 122.105 6.904 8.612 1 --
L18N-D15H-L18H 122.076 8.005 8.615 1 --
L18N-M21H-L18H 122.076 8.005 8.615 1 --
L18N-C17H-L18H 122.096 8.499 8.616 1 --
L18N-N19H-L18H 122.115 8.279 8.617 1 --
L18N-D16HA-L18H 122.096 4.476 8.616 1 --
L18N-D15HA-L18H 122.102 4.388 8.617 1 --
L18N-C17HA-L18H 122.108 4.249 8.616 1 --
L18N-L18HA-L18H 122.099 4.007 8.617 1 --
L18N-L14HA-L18H 122.077 3.742 8.615 1 --
L18N-C17HB3-L18H 122.109 3.096 8.616 2 --
L18N-D16HB3-L18H 122.132 2.948 8.614 1 --
L18N-D16HB2-L18H 122.102 2.866 8.616 3 --
L18N-M21HG2-L18H 122.101 2.743 8.616 1 --
L18N-C17HB2-L18H 122.084 2.649 8.616 2 --
L18N-L18HB2-L18H 122.100 1.956 8.617 2 --
L18N-L18HG-L18H 122.098 1.850 8.616 1 --
L18N-L18HB3-L18H 122.105 1.432 8.617 2 --
L18N-L13QD1-L18H 122.100 0.970 8.612 1 --
L18N-L18QD2-L18H 122.100 0.723 8.617 1 --
L18N-L18QD1-L18H 122.096 0.435 8.616 1 --
L18N-L99QD2-L18H 122.100 0.061 8.616 2 --
N19N-L18HB3-N19H 118.188 1.437 8.267 2 --
N19N-L18QD2-N19H 118.182 0.723 8.267 1 --
N19N-L18QD1-N19H 118.205 0.440 8.268 1 --
N19N-M21HB2-N19H 118.188 2.278 8.262 2 --
N19N-L18HB2-N19H 118.195 1.955 8.267 2 --
N19N-L18HG-N19H 118.166 1.849 8.267 1 --
N19N-N19HB3-N19H 118.186 3.073 8.267 1 --
N19N-N19HB2-N19H 118.188 2.964 8.267 1 --
N19N-M21HG2-N19H 118.203 2.723 8.266 1 --
N19N-N19HA-N19H 118.190 4.479 8.267 1 --
N19N-L18HA-N19H 118.201 4.015 8.267 1 --
N19N-N19HD22-N19H 118.177 6.935 8.268 1 --
N19N-M21H-N19H 118.198 7.992 8.265 1 --
N19N-N19HD21-N19H 118.184 7.832 8.267 1 --
N19N-L18H-N19H 118.185 8.628 8.266 1 --
T20N-M21H-T20H 117.428 7.997 8.275 1 --
T20N-N19HD21-T20H 117.407 7.849 8.277 1 --
T20N-T20HB-T20H 117.417 4.395 8.275 1 --
T20N-C17HA-T20H 117.427 4.245 8.274 1 --
T20N-T20HA-T20H 117.419 4.087 8.274 1 --
T20N-N19HA-T20H 117.429 4.464 8.278 1 --
T20N-N19HB3-T20H 117.413 3.072 8.275 1 --
T20N-N19HB2-T20H 117.409 2.967 8.275 1 --
T20N-M21HG2-T20H 117.409 2.749 8.277 1 --
T20N-M21HB2-T20H 117.405 2.270 8.274 2 --
T20N-M21QE-T20H 117.412 2.185 8.276 1 --
T20N-E23HB2-T20H 117.412 2.185 8.276 1 --
T20N-L18HB2-T20H 117.412 1.962 8.276 2 --
T20N-T20QG2-T20H 117.423 1.282 8.275 1 --
D22N-T20QG2-D22H 119.987 1.293 8.000 1 --
D22N-M21HB2-D22H 120.018 2.266 8.000 2 --
D22N-E23HB2-D22H 120.021 2.172 8.002 2 --
D22N-D22HB2-D22H 120.012 2.802 8.000 2 --
D22N-D22HB3-D22H 120.021 2.748 8.002 2 --
D22N-M21HA-D22H 119.985 4.221 7.998 2 --
I27N-R26HA-I27H 119.985 4.221 7.998 2 --
D22N-T20HA-D22H 120.003 4.107 8.000 1 --
I27N-Q24HA-I27H 120.003 4.107 8.000 1 --
D22N-D22HA-D22H 120.016 4.473 8.000 1 --
D22N-T20H-D22H 120.023 8.284 7.999 1 --
I27N-E29H-I27H 120.023 8.284 7.999 1 --
E23N-Q24H-E23H 120.597 8.208 8.091 1 --
E23N-D22H-E23H 120.586 8.000 8.091 1 --
E23N-D22HA-E23H 120.579 4.474 8.091 1 --
E23N-E23HA-E23H 120.581 4.119 8.090 1 --
E23N-M21HA-E23H 120.595 4.215 8.093 1 --
E23N-D22HB2-E23H 120.582 2.805 8.091 2 --
E23N-D22HB3-E23H 120.579 2.753 8.091 2 --
E23N-E23HB2-E23H 120.589 2.159 8.090 1 --
E23N-E23HG3-E23H 120.595 2.350 8.093 2 --
E23N-T20QG2-E23H 120.595 1.292 8.090 1 --
Q24N-T20QG2-Q24H 118.046 1.283 8.195 1 --
Q24N-I27QD1-Q24H 118.021 0.847 8.196 1 --
Q24N-I27HG12-Q24H 117.999 1.175 8.192 2 --
N6N-A8QB-N6H 118.054 1.424 8.185 1 --
Q24N-R26HG2-Q24H 118.009 1.569 8.195 1 --
Q24N-R26HG3-Q24H 117.984 1.724 8.195 1 --
N6N-P4HB2-N6H 118.072 1.942 8.185 2 --
N6N-P4HB2-N6H 118.010 1.880 8.195 2 --
Q24N-Q24HB3-Q24H 118.020 2.172 8.195 1 --
Q24N-Q24HG2-Q24H 118.029 2.528 8.196 2 --
N6N-D5HB3-N6H 118.010 2.713 8.197 1 --
N6N-N6HB2-N6H 118.010 2.817 8.196 3 --
N6N-N6HB3-N6H 118.010 2.817 8.196 3 --
Q24N-M21HA-Q24H 118.028 4.211 8.195 1 --
Q24N-Q24HA-Q24H 118.023 4.106 8.195 1 --
Q24N-D22HA-Q24H 118.067 4.492 8.188 1 --
Q24N-Q24HE21-Q24H 118.010 7.525 8.198 1 --
N6N-N6HD22-N6H 118.030 7.641 8.194 1 --
Q24N-M21H-Q24H 118.023 7.949 8.194 1 --
Q24N-R26H-Q24H 118.023 7.949 8.194 1 --
Q24N-E23H-Q24H 118.022 8.078 8.194 1 --
Q24N-E25H-Q24H 118.022 8.078 8.194 1 --
E25N-Q24H-E25H 119.652 8.198 8.051 1 --
E25N-R26H-E25H 119.634 7.924 8.052 1 --
E25N-D22HA-E25H 119.652 4.476 8.053 1 --
E25N-E25HA-E25H 119.642 4.208 8.053 1 --
E25N-Q24HA-E25H 119.641 4.110 8.053 1 --
E25N-R26QD-E25H 119.630 3.225 8.054 1 --
E25N-D22HB3-E25H 119.623 2.741 8.055 2 --
E25N-E25HG3-E25H 119.645 2.404 8.053 2 --
E25N-E25HG2-E25H 119.639 2.325 8.054 2 --
E25N-E25QB-E25H 119.640 2.144 8.053 1 --
E25N-R26QB-E25H 119.635 1.884 8.052 1 --
E25N-I27HB-E25H 119.635 1.884 8.052 1 --
E25N-R26HG3-E25H 119.677 1.721 8.054 1 --
E25N-R26HG2-E25H 119.651 1.563 8.054 1 --
E25N-Q24HG2-E25H 119.645 2.522 8.054 2 --
E25N-T20QG2-E25H 119.643 1.276 8.055 1 --
E25N-I27QD1-E25H 119.605 0.831 8.054 1 --
R26N-I27QD1-R26H 120.247 0.843 7.913 1 --
R26N-I27HG12-R26H 120.247 1.175 7.913 2 --
R26N-E25HG2-R26H 120.229 2.306 7.913 2 --
R26N-E25QB-R26H 120.245 2.139 7.912 1 --
R26N-R26QB-R26H 120.235 1.890 7.912 1 --
R26N-R26HG3-R26H 120.243 1.712 7.912 1 --
R26N-R26HG2-R26H 120.235 1.598 7.911 1 --
R26N-R26QD-R26H 120.227 3.207 7.913 1 --
R26N-R26HA-R26H 120.233 4.207 7.912 1 --
R26N-I27HA-R26H 120.247 3.971 7.914 1 --
R26N-E23HA-R26H 120.247 4.116 7.912 1 --
R26N-E25H-R26H 120.218 8.049 7.911 1 --
R26N-Q24H-R26H 120.222 8.208 7.911 1 --
R26N-H28H-R26H 120.222 8.208 7.911 1 --
I27N-H28H-I27H 119.854 8.230 7.964 1 --
D22N-M21HA-D22H 119.852 4.209 7.964 2 --
I27N-R26HA-I27H 119.852 4.209 7.964 2 --
I27N-Q24HA-I27H 119.862 4.117 7.965 1 --
I27N-I27HA-I27H 119.855 3.969 7.964 1 --
I27N-R26QD-I27H 119.838 3.210 7.963 1 --
D22N-E23HB2-D22H 119.860 2.156 7.969 3 --
I27N-E25QB-I27H 119.860 2.156 7.969 3 --
I27N-I27HB-I27H 119.855 1.866 7.964 1 --
I27N-R26HG3-I27H 119.843 1.712 7.963 1 --
I27N-I27HG13-I27H 119.855 1.521 7.964 2 --
I27N-I27HG12-I27H 119.854 1.185 7.964 2 --
D22N-M21HB3-D22H 119.862 2.306 7.968 2 --
I27N-I27QD1-I27H 119.851 0.851 7.964 1 --
H28N-I27QG2-H28H 120.823 0.852 8.212 1 --
H28N-I27HG12-H28H 120.831 1.190 8.215 2 --
H28N-I27HG13-H28H 120.839 1.528 8.213 2 --
H28N-I27HB-H28H 120.889 1.853 8.214 1 --
H28N-E30HG3-H28H 120.793 2.322 8.214 2 --
H28N-H28QB-H28H 120.833 3.229 8.212 1 --
H28N-H28QB-H28H 120.842 3.282 8.215 1 --
H28N-I27HA-H28H 120.822 3.968 8.213 1 --
H28N-E25HA-H28H 120.842 4.205 8.213 1 --
H28N-R26HA-H28H 120.842 4.205 8.213 1 --
H28N-H28HA-H28H 120.830 4.554 8.213 1 --
H28N-H28HD2-H28H 120.842 7.209 8.214 1 --
H28N-I27H-H28H 120.844 7.964 8.212 1 --
E29N-H28HA-E29H 121.617 4.557 8.279 1 --
K31N-H28HA-K31H 121.617 4.557 8.279 1 --
E29N-E29HA-E29H 121.617 4.222 8.277 1 --
K31N-K31HA-K31H 121.617 4.222 8.277 1 --
E34N-E34HA-E34H 121.617 4.222 8.277 1 --
E29N-H28QB-E29H 121.604 3.284 8.277 1 --
E29N-E29QG-E29H 121.591 2.295 8.277 1 --
E34N-E34HG3-E34H 121.591 2.295 8.277 1 --
E29N-E29HB2-E29H 121.617 2.043 8.279 1 --
E34N-Q33HB2-E34H 121.617 2.043 8.279 1 --
E34N-E34HB2-E34H 121.617 2.043 8.279 1 --
K31N-K31HB2-K31H 121.617 1.824 8.276 3 --
K31N-K31HB3-K31H 121.617 1.824 8.276 3 --
K31N-K31QD-K31H 121.617 1.665 8.279 1 --
K31N-K31HG2-K31H 121.617 1.444 8.277 1 --
E29N-I27QG2-E29H 121.617 0.842 8.279 1 --
K31N-I27QG2-K31H 121.617 0.842 8.279 1 --
E30N-I27QG2-E30H 121.998 0.854 8.444 1 --
E30N-I27QD1-E30H 121.998 0.854 8.444 1 --
E30N-K31HG2-E30H 121.966 1.427 8.443 1 --
E30N-A32QB-E30H 121.966 1.427 8.443 1 --
E30N-E30HG3-E30H 121.968 2.358 8.443 1 --
E30N-E29QG-E30H 121.964 2.264 8.442 1 --
E30N-E30HG2-E30H 121.964 2.264 8.442 1 --
E30N-E29HB2-E30H 121.969 2.051 8.443 1 --
E30N-E30HB2-E30H 121.969 2.051 8.443 1 --
E30N-R26QB-E30H 121.950 1.876 8.443 3 --
E30N-K31HB3-E30H 121.979 1.804 8.445 3 --
E30N-R26QD-E30H 121.987 3.226 8.439 1 --
E30N-H28QB-E30H 121.987 3.226 8.439 1 --
E30N-E30HA-E30H 121.974 4.208 8.443 1 --
E30N-I27HA-E30H 121.963 3.965 8.442 1 --
E30N-H28HA-E30H 121.958 4.558 8.441 1 --
E30N-E29H-E30H 121.967 8.294 8.443 1 --
E30N-K31H-E30H 121.967 8.294 8.443 1 --
E29N-E30H-E29H 121.279 8.438 8.278 1 --
K31N-E30H-K31H 121.279 8.438 8.278 1 --
Q43N-D42HA-Q43H 121.159 4.585 8.281 1 --
K31N-K31HE3-K31H 121.133 2.962 8.277 3 --
Q43N-D42HB2-Q43H 121.109 2.653 8.282 1 --
E29N-E29HA-E29H 121.221 4.224 8.280 1 --
K31N-K31HA-K31H 121.221 4.224 8.280 1 --
E29N-I27HA-E29H 121.221 3.987 8.280 1 --
K31N-I27HA-K31H 121.221 3.987 8.280 1 --
E29N-R26QD-E29H 121.221 3.200 8.281 1 --
E29N-H28QB-E29H 121.221 3.281 8.279 1 --
E29N-E29QG-E29H 121.221 2.268 8.280 1 --
K31N-E30HG2-K31H 121.221 2.268 8.280 1 --
K31N-E30HG3-K31H 121.221 2.347 8.281 1 --
Q43N-Q43QG-Q43H 121.221 2.347 8.281 1 --
E29N-E29HB2-E29H 121.221 2.050 8.280 1 --
K31N-E30HB2-K31H 121.221 2.050 8.280 1 --
K31N-K31HB3-K31H 121.221 1.824 8.280 3 --
K31N-K31QD-K31H 121.224 1.671 8.277 1 --
K31N-K31HG2-K31H 121.221 1.461 8.279 3 --
K31N-I27QG2-K31H 121.221 0.845 8.279 1 --
A32N-H28HA-A32H 124.206 4.567 8.172 1 --
A32N-Q33HG2-A32H 124.257 2.398 8.171 3 --
A32N-E29QG-A32H 124.251 2.305 8.173 1 --
A32N-E34HG3-A32H 124.251 2.305 8.173 1 --
A32N-K31HB2-A32H 124.243 1.829 8.172 3 --
A32N-K31HB3-A32H 124.243 1.829 8.172 3 --
A36N-R35HB2-A36H 124.243 1.829 8.172 3 --
A32N-A32QB-A32H 124.252 1.410 8.173 1 --
A36N-A36QB-A36H 124.252 1.410 8.173 1 --
A36N-R35HG2-A36H 124.287 1.658 8.172 3 --
A36N-R35HG3-A36H 124.287 1.658 8.172 3 --
A36N-R35QD-A36H 124.262 3.201 8.172 1 --
A36N-A36HA-A36H 124.257 4.245 8.173 1 --
Q33N-Q33HA-Q33H 118.817 4.217 8.257 1 --
Q33N-A32H-Q33H 118.823 8.167 8.259 1 --
Q33N-Q33HG2-Q33H 118.824 2.419 8.257 3 --
Q33N-Q33HG3-Q33H 118.824 2.419 8.257 3 --
Q33N-E34HG3-Q33H 118.790 2.294 8.257 1 --
Q33N-Q33HB2-Q33H 118.813 2.044 8.257 2 --
Q33N-K31HB2-Q33H 118.802 1.835 8.256 3 --
Q33N-K31HB3-Q33H 118.802 1.835 8.256 3 --
Q33N-R35HG2-Q33H 118.756 1.632 8.252 3 --
Q33N-A32QB-Q33H 118.815 1.408 8.257 1 --
E29N-E29HA-E29H 121.740 4.223 8.253 1 --
E34N-E34HA-E34H 121.740 4.223 8.253 1 --
E29N-E29QG-E29H 121.728 2.306 8.253 1 --
E34N-E34HG3-E34H 121.728 2.306 8.253 1 --
E29N-E29HB2-E29H 121.743 2.039 8.253 1 --
E34N-Q33HB2-E34H 121.743 2.039 8.253 1 --
E34N-E34HB2-E34H 121.743 2.039 8.253 1 --
E34N-A32QB-E34H 121.752 1.415 8.252 2 --
E29N-K31HB3-E29H 121.774 1.819 8.254 2 --
E34N-R35HB2-E34H 121.774 1.819 8.254 2 --
E34N-R35HG3-E34H 121.774 1.660 8.251 1 --
R35N-E34HG3-R35H 121.340 2.279 8.230 1 --
R35N-E34HB2-R35H 121.342 2.047 8.231 1 --
R35N-R35HB2-R35H 121.287 1.816 8.230 2 --
R35N-R35HG3-R35H 121.304 1.668 8.230 1 --
R35N-A36QB-R35H 121.322 1.417 8.230 1 --
R35N-R35QD-R35H 121.319 3.202 8.233 1 --
R35N-R35HA-R35H 121.315 4.227 8.230 1 --
A37N-T38H-A37H 122.699 8.022 8.189 1 --
L50N-E49HA-L50H 122.764 4.248 8.196 1 --
A37N-A37HA-A37H 122.713 4.309 8.194 1 --
A37N-A36QB-A37H 122.712 1.422 8.193 1 --
A37N-A37QB-A37H 122.712 1.422 8.193 1 --
A37N-T38QG2-A37H 122.696 1.228 8.190 1 --
T38N-R39HB2-T38H 113.112 1.794 8.011 1 --
T38N-R39HG2-T38H 113.120 1.639 8.009 3 --
T38N-R39HG3-T38H 113.120 1.639 8.009 3 --
T38N-A37QB-T38H 113.095 1.422 8.009 1 --
T38N-T38QG2-T38H 113.083 1.211 8.009 1 --
T38N-A37HA-T38H 113.090 4.301 8.010 1 --
T38N-T38HA-T38H 113.090 4.301 8.010 1 --
T38N-T38HA-T38H 113.085 4.232 8.012 1 --
T38N-A37H-T38H 113.080 8.195 8.009 1 --
T38N-R39H-T38H 113.080 8.195 8.009 1 --
R39N-T38H-R39H 123.412 8.038 8.204 1 --
R39N-T38HA-R39H 123.365 4.297 8.205 1 --
R39N-R39HA-R39H 123.365 4.297 8.205 1 --
R39N-R39QD-R39H 123.388 3.205 8.210 1 --
R39N-R39HB2-R39H 123.370 1.778 8.205 1 --
R39N-R39HG2-R39H 123.388 1.643 8.206 3 --
R39N-R39HG3-R39H 123.388 1.643 8.206 3 --
R39N-T38QG2-R39H 123.345 1.215 8.206 1 --
A40N-R39HB3-A40H 125.734 1.843 8.316 1 --
A40N-R39HG2-A40H 125.765 1.648 8.314 3 --
A40N-R39HG3-A40H 125.765 1.648 8.314 3 --
A40N-A40QB-A40H 125.729 1.387 8.316 1 --
A40N-T38QG2-A40H 125.795 1.221 8.313 1 --
A40N-V41QG1-A40H 125.705 0.927 8.315 3 --
A40N-V41QG2-A40H 125.705 0.927 8.315 3 --
A40N-R39HA-A40H 125.731 4.331 8.316 1 --
A40N-A40HA-A40H 125.731 4.331 8.316 1 --
A40N-R39H-A40H 125.704 8.195 8.317 1 --
A40N-V41H-A40H 125.719 8.074 8.316 1 --
V41N-A40HA-V41H 118.672 4.322 8.072 1 --
V41N-V41HA-V41H 118.684 4.076 8.070 1 --
V41N-D42HB3-V41H 118.684 2.712 8.073 1 --
V41N-V41HB-V41H 118.677 2.090 8.072 1 --
V41N-A40QB-V41H 118.686 1.388 8.072 1 --
V41N-V41QG1-V41H 118.678 0.933 8.072 3 --
D42N-V41HB-D42H 123.218 2.092 8.292 1 --
D42N-V41QG1-D42H 123.225 0.930 8.292 3 --
D42N-V41QG2-D42H 123.225 0.930 8.292 3 --
D42N-D42HB2-D42H 123.223 2.651 8.292 1 --
D42N-D42HB3-D42H 123.239 2.697 8.293 1 --
D42N-V41HA-D42H 123.220 4.069 8.292 1 --
D42N-D42HA-D42H 123.220 4.592 8.292 1 --
D42N-A40HA-D42H 123.221 4.315 8.292 1 --
D42N-V41H-D42H 123.226 8.083 8.291 1 --
K31N-E30HG3-K31H 121.125 2.359 8.284 1 --
Q43N-Q43QG-Q43H 121.125 2.359 8.284 1 --
K44N-K44HG2-K44H 122.106 1.436 8.357 3 --
K44N-K44HG3-K44H 122.106 1.436 8.357 3 --
K44N-Q43HB3-K44H 122.116 2.129 8.359 1 --
K44N-Q43HB2-K44H 122.115 1.978 8.355 1 --
K44N-K44HB2-K44H 122.106 1.814 8.358 3 --
K44N-K44HB3-K44H 122.106 1.814 8.358 3 --
K44N-Q43QG-K44H 122.071 2.354 8.361 1 --
K44N-K44HA-K44H 122.111 4.287 8.357 1 --
K44N-S45H-K44H 122.166 8.234 8.356 1 --
A46N-S45HA-A46H 126.132 4.405 8.372 1 --
A46N-S45HB2-A46H 126.112 3.883 8.371 1 --
A46N-A46QB-A46H 126.134 1.424 8.372 1 --
T47N-A46QB-T47H 112.588 1.417 8.031 1 --
T47N-T47QG2-T47H 112.603 1.198 8.031 1 --
T47N-A46HA-T47H 112.582 4.377 8.031 1 --
T47N-T47HA-T47H 112.582 4.265 8.031 1 --
T47N-T47HB-T47H 112.582 4.265 8.031 1 --
T47N-A46H-T47H 112.573 8.394 8.031 1 --
A48N-T47HA-A48H 126.200 4.292 8.196 1 --
A48N-A48HA-A48H 126.200 4.292 8.196 1 --
A48N-A48QB-A48H 126.197 1.387 8.196 1 --
A48N-T47QG2-A48H 126.229 1.206 8.197 1 --
E49N-E49HG2-E49H 119.855 2.257 8.332 1 --
E49N-E49HB3-E49H 119.858 2.036 8.332 2 --
E49N-E49HB2-E49H 119.862 1.934 8.331 2 --
E49N-A48QB-E49H 119.862 1.390 8.332 1 --
E49N-A48HA-E49H 119.859 4.277 8.331 1 --
L50N-L50HA-L50H 122.902 4.377 8.203 1 --
L50N-S51QB-L50H 122.880 3.886 8.203 1 --
L50N-E49HB3-L50H 122.843 2.036 8.203 2 --
A8N-P4HB2-A8H 122.885 1.934 8.203 2 --
L50N-E49HB2-L50H 122.885 1.934 8.203 2 --
L50N-L50QB-L50H 122.890 1.653 8.204 1 --
S51N-L50QB-S51H 116.345 1.640 8.275 2 --
S51N-E49HB3-S51H 116.297 2.041 8.275 2 --
S45N-S45HB2-S45H 116.330 3.884 8.275 1 --
S51N-S51QB-S51H 116.330 3.884 8.275 1 --
S45N-S45HA-S45H 116.309 4.426 8.274 1 --
S51N-S51HA-S51H 116.309 4.426 8.274 1 --
G52N-S51HA-G52H 110.644 4.450 8.344 1 --
G52N-G52QA-G52H 110.647 3.961 8.354 1 --
G53N-G53HA2-G53H 108.674 3.860 8.154 3 --
G53N-G53HA3-G53H 108.674 3.860 8.154 3 --
Y54N-G53HA2-Y54H 124.445 3.857 7.554 3 --
Y54N-G53HA3-Y54H 124.445 3.857 7.554 3 --
Y54N-Y54HB2-Y54H 124.461 2.864 7.553 1 --
Y54N-Y54HA-Y54H 124.459 4.399 7.565 1 --
L13N-L99QD2-L13H 120.127 0.065 7.734 2 --
N6ND2-N6HB2-N6HD21 112.678 2.841 6.846 3 --
N6ND2-N6HB3-N6HD21 112.678 2.841 6.846 3 --
N19ND2-N19HD22-N19HD21 113.298 6.942 7.820 1 --
N19ND2-D16HA-N19HD21 113.288 4.483 7.820 1 --
N19ND2-N19HA-N19HD21 113.288 4.483 7.820 1 --
N19ND2-N19HB2-N19HD21 113.294 2.964 7.820 1 --
N19ND2-N19HB3-N19HD21 113.299 3.072 7.820 1 --
N19ND2-D15HB2-N19HD21 113.295 2.645 7.820 1 --
N19ND2-L18QD2-N19HD22 113.359 0.748 6.935 1 --
N19ND2-D15HB2-N19HD22 113.292 2.651 6.938 1 --
N19ND2-N19HB2-N19HD22 113.307 2.968 6.938 1 --
N19ND2-N19HB3-N19HD22 113.297 3.073 6.938 1 --
N19ND2-D16HA-N19HD22 113.311 4.486 6.939 1 --
N19ND2-N19HA-N19HD22 113.311 4.486 6.939 1 --
N19ND2-D15HA-N19HD22 113.258 4.379 6.940 1 --
T20N-N19HD22-T20H 117.347 6.953 8.273 1 --
M21N-L18QD1-M21H 120.885 0.447 7.984 1 --
M21N-L98QD1-M21H 120.855 0.977 7.983 2 --
M21N-T20QG2-M21H 120.870 1.282 7.983 1 --
M21N-L18QD2-M21H 120.925 0.703 7.983 1 --
M21N-L18HB2-M21H 120.885 1.971 7.982 2 --
M21N-M21HB2-M21H 120.872 2.264 7.984 2 --
M21N-M21HG3-M21H 120.877 2.761 7.984 3 --
M21N-M21HG2-M21H 120.877 2.761 7.984 3 --
M21N-N19HB3-M21H 120.874 3.089 7.985 1 --
M21N-T20HA-M21H 120.868 4.087 7.984 1 --
M21N-M21HA-M21H 120.863 4.229 7.984 1 --
M21N-T20HB-M21H 120.865 4.396 7.984 1 --
M21N-T20H-M21H 120.876 8.284 7.983 1 --
Q24NE2-Q24HE22-Q24HE21 111.739 6.799 7.533 1 --
Q24NE2-Q24HA-Q24HE21 111.728 4.096 7.532 1 --
Q24NE2-E25HA-Q24HE21 111.758 4.225 7.532 1 --
Q24NE2-Q24HG3-Q24HE21 111.743 2.490 7.532 2 --
Q24NE2-Q24HB2-Q24HE21 111.742 2.176 7.532 3 --
Q24NE2-Q24HB3-Q24HE21 111.742 2.176 7.532 3 --
Q24NE2-I27HB-Q24HE21 111.744 1.824 7.532 1 --
Q24NE2-I27QG2-Q24HE21 111.726 0.854 7.532 1 --
Q24NE2-I27QD1-Q24HE21 111.726 0.854 7.532 1 --
Q24NE2-Q24HE21-Q24HE22 111.740 7.543 6.796 1 --
Q24NE2-Q24HA-Q24HE22 111.744 4.087 6.796 1 --
Q24NE2-E25HA-Q24HE22 111.752 4.221 6.795 1 --
Q24NE2-Q24HB2-Q24HE22 111.742 2.179 6.796 3 --
Q24NE2-Q24HG3-Q24HE22 111.738 2.494 6.796 2 --
Q24NE2-I27QG2-Q24HE22 111.741 0.847 6.795 1 --
Q33NE2-Q33HE22-Q33HE21 112.402 6.856 7.572 1 --
Q33NE2-Q33HA-Q33HE21 112.382 4.221 7.572 1 --
Q33NE2-Q33HG2-Q33HE21 112.369 2.418 7.572 3 --
Q33NE2-Q33HG3-Q33HE21 112.369 2.418 7.572 3 --
Q33NE2-Q33HB2-Q33HE21 112.418 2.055 7.572 2 --
Q33NE2-Q33HE21-Q33HE22 112.442 7.553 6.851 1 --
Q33NE2-Q33HA-Q33HE22 112.414 4.221 6.850 1 --
Q33NE2-Q33HG2-Q33HE22 112.395 2.400 6.851 3 --
Q33NE2-Q33HG3-Q33HE22 112.395 2.400 6.851 3 --
Q33NE2-Q33HB2-Q33HE22 112.466 2.055 6.850 2 --
Q43NE2-Q43HE22-Q43HE21 112.480 6.855 7.511 1 --
S45N-K44HB2-S45H 116.581 1.825 8.245 3 --
S45N-K44HB3-S45H 116.581 1.825 8.245 3 --
S45N-S45HB2-S45H 116.549 3.876 8.245 1 --
S51N-S51QB-S51H 116.549 3.876 8.245 1 --
S45N-K44HA-S45H 116.562 4.295 8.244 1 --
S45N-S45HA-S45H 116.558 4.422 8.243 1 --
S51N-S51HA-S51H 116.558 4.422 8.243 1 --
N6N-D7H-N6H 117.977 8.362 8.223 1 --
D15N-C17H-D15H 118.530 8.490 7.994 1 --
N6N-D5HA-N6H 118.192 4.621 8.257 1 --
L14N-L13QD1-L14H 120.544 0.974 8.098 1 --
L14N-L14QD2-L14H 120.544 0.974 8.098 1 --
H3N-H3HA-H3H 121.214 4.938 8.510 1 --
Q24NE2-I27HG13-Q24HE22 111.701 1.531 6.795 2 --
N6ND2-N6HD21-N6HD22 112.699 6.851 7.628 1 --
N6ND2-N6HB2-N6HD22 112.691 2.841 7.628 3 --
N6ND2-N6HB3-N6HD22 112.691 2.841 7.628 3 --
;
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 . . N 15 N . aliased 1824.152 Hz . . . 117.5 . . 35015 1
2 . . H 1 H . aliased 6352.352 Hz . . . 8.776 . . 35015 1
3 . . H 1 H 1 'not observed' 11709.602 Hz . . . 4.780 . . 35015 1
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save_