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 34674
_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 1
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_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
;
295 peaks
Assignment Shift (ppm)
G1H1-H1 11.566 11.567
G1H1-G2H1 11.566 11.694
G1H1'-H1 5.825 11.564
G1H1'-H1' 5.824 5.826
G1H1'-H8 5.825 8.131
G1H1'-G2H8 5.827 8.021
G1H1'-G21H1 5.825 11.568
G1H2'-H1 4.986 11.564
G1H2'-H8 4.976 8.133
G1H2'-G2H8 4.976 8.022
G1H2'-G21H1 4.973 11.568
G1H3'-G21H1 4.795 11.571
G1H4'-H8 4.636 8.130
G1H5"-H8 4.347 8.130
G1H5'-H8 4.348 8.129
G1H8-H8 8.130 8.132
G1H8-G20H1 8.133 11.527
G1H8-G21H1 8.125 11.567
G2H1-H1 11.693 11.694
G2H1'-G1H1 6.014 11.566
G2H1'-H1 6.010 11.694
G2H1'-H1' 6.013 6.012
G2H1'-H8 6.011 8.021
G2H1'-G3H8 6.009 7.898
G2H1'-G9H8 6.011 8.128
G2H1'-G22H1 6.011 11.384
G2H2'-H1 4.500 11.694
G2H2'-H8 4.503 8.021
G2H2'-G3H8 4.500 7.899
G2H2'-G22H1 4.501 11.385
G2H21-H1 9.844 11.695
G2H22-H1 5.933 11.695
G2H4'-H8 4.648 8.022
G2H5"-H8 4.553 8.021
G2H8-H8 8.021 8.020
G2H8-G21H1 8.022 11.567
G2H8-G22H1 8.023 11.385
G3H1-G2H1 11.561 11.694
G3H1-H1 11.557 11.563
G3H1'-G2H1 6.110 11.694
G3H1'-H1 6.108 11.564
G3H1'-H1' 6.110 6.110
G3H1'-H8 6.111 7.898
G3H1'-A6H2 6.110 8.253
G3H2'-H1 4.290 11.565
G3H2'-H8 4.291 7.899
G3H2'-C4H6 4.290 7.653
G3H2'-A6H2 4.289 8.253
G3H3'-H8 4.802 7.898
G3H5"-H8 4.148 7.900
G3H8-G2H1 7.895 11.693
G3H8-H8 7.900 7.899
G3H8-G22H1 7.898 11.386
C4H1'-H1' 5.776 5.777
C4H1'-H6 5.778 7.650
C4H1'-A6H2 5.779 8.253
C4H2'-H6 4.191 7.651
C4H3'-H6 4.506 7.652
C4H4'-A6H8 4.099 8.460
C4H5-H5 5.812 5.813
C4H5-H6 5.812 7.649
C4H5-G22H1 5.815 11.385
C4H5"-H6 4.016 7.651
C4H6-H6 7.653 7.652
C5H1'-H1' 5.954 5.953
C5H1'-H6 5.956 7.789
C5H2'-H6 4.310 7.790
C5H2'-A6H8 4.307 8.459
C5H3'-H6 4.539 7.790
C5H3'-A6H8 4.540 8.460
C5H5-H5 6.001 6.001
C5H5-H6 6.003 7.789
C5H5"-H6 4.035 7.791
C5H5"-A6H8 4.032 8.459
C5H5'-H6 4.097 7.789
C5H6-H6 7.791 7.790
C5H6-A6H8 7.790 8.460
A6H1'-H1' 6.093 6.094
A6H1'-H2 6.094 8.253
A6H1'-H8 6.093 8.460
A6H1'-U7H6 6.094 7.852
A6H2-H2 8.253 8.252
A6H2'-H8 4.807 8.459
A6H3'-H8 4.800 8.458
A6H5"-H8 4.194 8.459
A6H5'-H8 4.258 8.459
A6H8-H8 8.461 8.460
U7H1'-A6H2 6.009 8.253
U7H1'-H1' 6.006 6.006
U7H1'-H6 6.005 7.851
U7H2'-H6 4.454 7.852
U7H3'-H6 4.681 7.852
U7H5-A6H8 5.783 8.459
U7H5-H5 5.784 5.785
U7H5-H6 5.783 7.852
U7H6-H6 7.850 7.852
U8H1'-H1' 5.985 5.985
U8H1'-H6 5.986 7.853
U8H2'-H6 4.504 7.856
U8H5-G1H1 5.887 11.565
U8H5-H5 5.885 5.883
U8H5-H6 5.885 7.851
U8H6-G1H1 7.850 11.565
U8H6-H6 7.852 7.855
G9H1-H1 11.539 11.537
G9H1'-G2H1 5.816 11.694
G9H1'-H1 5.815 11.536
G9H1'-H1' 5.813 5.814
G9H1'-H8 5.818 8.128
G9H1'-G10H8 5.816 7.978
G9H2'-G2H1 4.993 11.694
G9H2'-H1 4.988 11.538
G9H2'-H8 4.990 8.127
G9H2'-G10H8 4.991 7.979
G9H5"-H8 4.268 8.126
G9H5'-H8 4.268 8.127
G9H8-G1H1 8.129 11.565
G9H8-G2H1 8.129 11.695
G9H8-H8 8.128 8.128
G10H1-G2H1 11.531 11.694
G10H1-H1 11.535 11.529
G10H1'-G3H1 5.954 11.564
G10H1'-G9H1 5.955 11.537
G10H1'-H1 5.955 11.530
G10H1'-H1' 5.956 5.955
G10H1'-H8 5.954 7.978
G10H1'-G11H8 5.950 7.923
G10H2'-H1 4.690 11.529
G10H2'-G11H8 4.694 7.923
G10H21-H1 9.364 11.529
G10H22-H1 6.883 11.529
G10H8-G2H1 7.980 11.695
G10H8-G3H1 7.980 11.564
G10H8-G9H1 7.981 11.536
G10H8-H8 7.977 7.978
G11H1-G3H1 11.407 11.565
G11H1-G10H1 11.405 11.529
G11H1-H1 11.406 11.403
G11H1-G14H1 11.407 11.600
G11H1'-G10H1 6.196 11.530
G11H1'-H1 6.194 11.401
G11H1'-H1' 6.192 6.191
G11H1'-H8 6.194 7.922
G11H2'-H8 4.662 7.923
G11H5"-H8 4.096 7.922
G11H5'-H8 4.799 7.923
G11H8-G3H1 7.922 11.564
G11H8-H8 7.923 7.922
U12H1'-H1' 6.219 6.219
U12H1'-H6 6.219 7.972
U12H2'-H6 4.495 7.973
U12H5-H5 6.040 6.039
U12H5-H6 6.042 7.972
U12H6-H6 7.972 7.972
G13H1-G9H1 11.423 11.538
G13H1-H1 11.421 11.422
G13H1-G14H1 11.423 11.601
G13H1-G20H1 11.422 11.530
G13H1'-G10H1 5.765 11.534
G13H1'-H1 5.763 11.423
G13H1'-H1' 5.767 5.767
G13H1'-H8 5.767 7.838
G13H1'-G14H8 5.765 7.894
G13H2'-G10H1 4.957 11.529
G13H2'-H1 4.955 11.422
G13H2'-H8 4.956 7.838
G13H2'-G14H8 4.956 7.893
G13H3'-G10H1 4.664 11.529
G13H3'-H8 4.670 7.837
G13H5"-H8 4.345 7.838
G13H5'-H8 4.439 7.838
G13H8-G9H1 7.840 11.537
G13H8-G10H1 7.841 11.529
G13H8-H8 7.837 7.839
G14H1-G11H1 11.597 11.402
G14H1-H1 11.599 11.600
G14H1-G15H1 11.599 11.340
G14H1'-G13H1 5.914 11.423
G14H1'-H1 5.917 11.600
G14H1'-H1' 5.915 5.914
G14H1'-H8 5.911 7.895
G14H1'-G15H8 5.912 7.893
G14H1'-G20H8 5.915 8.082
G14H2'-G11H1 4.428 11.401
G14H2'-H8 4.431 7.892
G14H2'-G15H8 4.429 7.893
G14H21-H1 9.567 11.600
G14H22-H1 6.050 11.600
G14H3'-G11H1 4.800 11.403
G14H5"-H8 4.226 7.891
G14H8-G10H1 7.894 11.529
G14H8-G11H1 7.895 11.401
G14H8-G13H1 7.894 11.424
G14H8-H8 7.895 7.895
G15H1-G14H1 11.339 11.599
G15H1-H1 11.340 11.339
G15H1-G21H1 11.339 11.565
G15H1'-G14H1 6.002 11.601
G15H1'-H1 6.002 11.340
G15H1'-H1' 6.007 6.008
G15H1'-H8 6.005 7.894
G15H2'-H8 4.316 7.893
G15H3'-H8 4.812 7.893
G15H4'-H8 4.280 7.893
G15H4'-A16H8 4.281 8.437
G15H5"-H8 3.959 7.893
G15H5"-A16H8 3.958 8.437
G15H8-G11H1 7.894 11.401
G15H8-G14H1 7.893 11.600
G15H8-H1 7.893 11.341
G15H8-H8 7.895 7.894
A16H1'-H1' 6.086 6.087
A16H1'-H2 6.086 8.124
A16H1'-H8 6.086 8.436
A16H2-G15H1 8.125 11.341
A16H2-H2 8.122 8.123
A16H2'-H8 4.827 8.437
A16H3'-H8 4.770 8.438
A16H4'-H8 4.562 8.438
A16H5"-H8 4.140 8.437
A16H5'-H8 4.315 8.437
A16H8-H8 8.438 8.437
U17H1'-H1' 6.040 6.039
U17H1'-H6 6.042 7.937
U17H2'-H6 4.483 7.931
U17H5-H5 5.940 5.938
U17H5-H6 5.938 7.936
U17H5"-H6 4.205 7.932
U17H5'-H6 4.272 7.931
U17H6-H6 7.935 7.936
C18H1'-H1' 5.944 5.944
C18H1'-H6 5.947 7.842
C18H2'-H6 4.410 7.841
C18H5-H5 6.031 6.031
C18H5-H6 6.031 7.841
C18H5"-H6 4.171 7.840
C18H6-H6 7.840 7.841
U19H1'-A16H8 5.941 8.437
U19H1'-H1' 5.939 5.939
U19H1'-H6 5.938 7.809
U19H1'-G20H8 5.937 8.081
U19H2'-H6 4.490 7.810
U19H2'-G20H8 4.488 8.081
U19H5-A16H8 5.711 8.438
U19H5-H5 5.709 5.712
U19H5-H6 5.710 7.809
U19H5"-H6 4.173 7.810
U19H5'-H6 4.270 7.812
U19H6-A16H8 7.814 8.439
U19H6-H6 7.810 7.810
G20H1-H1 11.535 11.530
G20H1'-H1 5.816 11.528
G20H1'-H1' 5.815 5.816
G20H1'-H8 5.815 8.081
G20H1'-G21H8 5.816 7.978
G20H2'-G14H1 4.957 11.599
G20H2'-H8 4.955 8.081
G20H2'-G21H8 4.955 7.976
G20H3'-G14H1 4.738 11.599
G20H4'-H8 4.592 8.081
G20H5"-H8 4.282 8.080
G20H5'-H8 4.331 8.081
G20H8-G13H1 8.081 11.423
G20H8-G14H1 8.081 11.601
G20H8-H1 8.079 11.525
G20H8-H8 8.081 8.080
G21H1-H1 11.565 11.567
G21H1'-G1H8 6.020 8.131
G21H1'-G15H1 6.022 11.340
G21H1'-G20H1 6.022 11.528
G21H1'-H1 6.019 11.568
G21H1'-H1' 6.016 6.017
G21H1'-H8 6.019 7.979
G21H1'-G22H8 6.018 7.854
G21H2"-H1 4.512 11.567
G21H2'-G15H1 4.518 11.339
G21H21-H1 9.719 11.569
G21H22-H1 5.952 11.566
G21H5'-H8 4.539 7.976
G21H8-G14H1 7.977 11.600
G21H8-G15H1 7.976 11.340
G21H8-G20H1 7.979 11.528
G21H8-H8 7.978 7.977
G22H1-G2H1 11.386 11.694
G22H1-G21H1 11.388 11.567
G22H1-H1 11.386 11.385
G22H1'-G21H1 6.112 11.567
G22H1'-H1 6.114 11.385
G22H1'-H1' 6.112 6.112
G22H1'-H8 6.116 7.854
G22H2'-H1 4.214 11.387
G22H2'-H8 4.214 7.854
G22H8-G15H1 7.856 11.340
G22H8-G21H1 7.856 11.567
G22H8-H8 7.850 7.855
;
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 . . 8196.753 Hz . . . 6301.26 . . 34674 1
2 . . H 1 H . . 8196.753 Hz . . . 6301.26 . . 34674 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
2 $software_2 . . 34674 1
stop_
save_