NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
3867 1e9t 5771 cing recoord 1-original 1 DYANA/DIANA distance NOE simple


  3 TYR  HN      3 TYR  HA      5.01   # peak   1667
  3 TYR  HN      3 TYR  QB      4.86   # peak   1668
  3 TYR  HN      3 TYR  QD      8.14   # peak   2095
  3 TYR  HA      3 TYR  QB      3.84   # peak   1670
  3 TYR  HA      3 TYR  QD      8.14   # peak   2511
  3 TYR  HA      4 VAL  HN      4.14   # peak   2152
  3 TYR  QB      3 TYR  QD      9.02   # peak   2505
  3 TYR  QB      3 TYR  QE      9.01   # peak   2506
  3 TYR  QB      4 VAL  HN      5.51   # peak   2151
  3 TYR  QD      3 TYR  QE     10.27   # peak   1035
  3 TYR  QD      4 VAL  HN      8.14   # peak   2156
  3 TYR  QD      4 VAL  HB      8.14   # peak   2501
  3 TYR  QD      4 VAL  QG1     9.17   # peak   2507
  3 TYR  QD      4 VAL  QG2     9.17   # peak   2929
  3 TYR  QD      5 GLY  HA1     8.14   # peak   2509
  3 TYR  QD      5 GLY  HA2     8.14   # peak   2941
  3 TYR  QE      4 VAL  HB      8.13   # peak   2502
  3 TYR  QE      4 VAL  QG1     9.16   # peak   2508
  3 TYR  QE      4 VAL  QG2     9.16   # peak   2930
  3 TYR  QE      5 GLY  HA1     8.13   # peak   2510
  3 TYR  QE      5 GLY  HA2     8.13   # peak   2942
  4 VAL  HN      4 VAL  HA      4.18   # peak    217
  4 VAL  HN      4 VAL  HB      3.68   # peak    328
  4 VAL  HN      4 VAL  QG1     6.65   # peak    340
  4 VAL  HN      4 VAL  QG2     6.65   # peak   2925
  4 VAL  HN      5 GLY  HN      4.86   # peak   2192
  4 VAL  HN      5 GLY  HA1     5.09   # peak   2162
  4 VAL  HN      5 GLY  HA2     5.09   # peak   2938
  4 VAL  HN      6 LEU  QQD     8.13   # peak   1839
  4 VAL  HN      9 ASN  QB      6.88   # peak   2973
  4 VAL  HA      4 VAL  HB      3.64   # peak    203
  4 VAL  HA      4 VAL  QG1     5.13   # peak    336
  4 VAL  HA      4 VAL  QG2     4.10   # peak   2921
  4 VAL  HA      5 GLY  HN      3.11   # peak   2191
  4 VAL  HA      6 LEU  HN      5.43   # peak   2194
  4 VAL  HB      4 VAL  QG1     4.41   # peak     80
  4 VAL  HB      4 VAL  QG2     5.32   # peak    335
  4 VAL  HB      5 GLY  HN      4.82   # peak   2190
  4 VAL  QG1     5 GLY  HN      7.03   # peak   2189
  4 VAL  QG1     5 GLY  HA1     7.03   # peak   2856
  4 VAL  QG1     5 GLY  HA2     7.03   # peak   2932
  4 VAL  QG1     6 LEU  HN      7.03   # peak   2195
  4 VAL  QG2     5 GLY  HN      7.03   # peak   2926
  4 VAL  QG2     5 GLY  HA1     6.72   # peak   2931
  4 VAL  QG2     5 GLY  HA2     6.65   # peak   2933
  4 VAL  QG2     6 LEU  HN      7.03   # peak   2927
  5 GLY  HN      5 GLY  HA1     3.53   # peak   1645
  5 GLY  HN      5 GLY  HA2     3.45   # peak   1557
  5 GLY  HN      6 LEU  HB2     6.00   # peak   2971
  5 GLY  HN      6 LEU  HG      6.00   # peak   2972
  5 GLY  HN     10 GLN  HB3     6.00   # peak   2970
  5 GLY  HA1     6 LEU  HN      3.15   # peak   2193
  5 GLY  HA1     6 LEU  HA      5.00   # peak   2858 was 4.02 ov
  5 GLY  HA1     6 LEU  HB3     5.00   # peak   2857 was 4.02 ov
  5 GLY  HA1     6 LEU  QQD     7.98   # peak   2855
  5 GLY  HA2     6 LEU  HN      3.38   # peak   2940
  5 GLY  HA2     6 LEU  HA      5.00   # peak   2937 was 4.14 ov
  5 GLY  HA2     6 LEU  HB3     5.00   # peak   2936 was 4.18 ov
  5 GLY  HA2     6 LEU  QQD     8.13   # peak   2935
  6 LEU  HN      6 LEU  HA      3.91   # peak    365
  6 LEU  HN      6 LEU  HB2     3.26   # peak    186
  6 LEU  HN      6 LEU  HB3     3.72   # peak    366
  6 LEU  HN      6 LEU  HG      3.76   # peak    363
  6 LEU  HN      6 LEU  QQD     8.13   # peak    374
  6 LEU  HA      6 LEU  HB2     2.66   # peak    185
  6 LEU  HA      6 LEU  HB3     3.00   # peak    187
  6 LEU  HA      6 LEU  QQD     5.47   # peak    373
  6 LEU  HB2     6 LEU  QQD     5.36   # peak   1804
  6 LEU  HB3     6 LEU  QQD     6.12   # peak    384
  6 LEU  HG      6 LEU  QQD     4.48   # peak     69
  6 LEU  QQD    10 GLN  HE21    8.13   # peak   2966
#  6 LEU  HG     32 ASN  HA      6.00   # peak   2629 miss QB28->32HA
#  6 LEU  QQD    32 ASN  HN      8.13   # peak   2127
  7 SER  HN      7 SER  HA      3.30   # peak   1433
  7 SER  HN      7 SER  HB2     4.10   # peak   1434
  7 SER  HN      7 SER  HB3     4.44   # peak   1435
  7 SER  HA      7 SER  HB2     2.43   # peak   1385
  7 SER  HA      7 SER  HB3     2.66   # peak   1386
  7 SER  HA      8 ALA  HN      3.57   # peak   2037
  7 SER  HA      8 ALA  QB      5.58   # peak   2730
  7 SER  HB2     7 SER  HB3     2.58   # peak   1389
  7 SER  HB3     8 ALA  QB      7.03   # peak   2731
  7 SER  HB3    10 GLN  HN      6.00   # peak   2185
  8 ALA  HN      8 ALA  HA      4.10   # peak   2182
  8 ALA  HN      8 ALA  QB      6.08   # peak   1005
  8 ALA  HN     12 ALA  HA      6.00   # peak   2981
  8 ALA  HA      8 ALA  QB      3.76   # peak   1003
  8 ALA  HA      9 ASN  HN      4.86   # peak   2318
  8 ALA  HA     10 GLN  HN      6.00   # peak   2279
  8 ALA  HA     11 CYSS HA      6.00   # peak   2594
  8 ALA  HA     11 CYSS HB2     4.78   # peak   2823
  8 ALA  HA     11 CYSS HB3     5.01   # peak   1843
  8 ALA  HA     12 ALA  HN      6.00   # peak   2990
  8 ALA  QB      9 ASN  HN      6.53   # peak   2098
  9 ASN  HN      9 ASN  HA      4.71   # peak   1666
  9 ASN  HN      9 ASN  QB      5.28   # peak   1728
  9 ASN  HA     10 GLN  HN      3.49   # peak   2180
  9 ASN  HA     12 ALA  HN      4.10   # peak   2289
  9 ASN  QB     10 GLN  HN      4.90   # peak   2183
 10 GLN  HN     10 GLN  HA      3.45   # peak   1565
 10 GLN  HN     10 GLN  HB2     3.34   # peak   1567
 10 GLN  HN     10 GLN  HB3     3.38   # peak   2170
 10 GLN  HN     10 GLN  QG      5.66   # peak   2177
 10 GLN  HN     11 CYSS HN      3.34   # peak   2179
 10 GLN  HN     11 CYSS HA      6.00   # peak   2184
 10 GLN  HN     11 CYSS HB2     6.00   # peak   2977
 10 GLN  HN     12 ALA  HN      5.32   # peak   2178
 10 GLN  HN     12 ALA  QB      7.03   # peak   2467
 10 GLN  HN     52 LEU  HB3     6.00   # peak   2969
 10 GLN  HA     10 GLN  HB2     2.62   # peak   1598
 10 GLN  HA     10 GLN  QG      4.94   # peak   1597
 10 GLN  HA     10 GLN  HE21    6.00   # peak   2347
 10 GLN  HA     10 GLN  HE22    6.00   # peak   2346
 10 GLN  HA     11 CYSS HN      3.83   # peak   2248
 10 GLN  HA     11 CYSS HA      6.00   # peak ov with 2595
 10 GLN  HA     12 ALA  HN      3.95   # peak   2290
 10 GLN  HA     51 PRO  HA      4.48   # peak   2672
 10 GLN  HA     52 LEU  QD1     3.72   # peak   2790
 10 GLN  HB2    10 GLN  QG      4.90   # peak   1794
 10 GLN  HB2    10 GLN  HE21    6.00   # peak   2344
 10 GLN  HB2    10 GLN  HE22    6.00   # peak   2339
 10 GLN  HB3    10 GLN  HE21    6.00   # peak   2343
 10 GLN  HB3    10 GLN  HE22    6.00   # peak   2338
 10 GLN  HB3    11 CYSS HN      4.06   # peak   2246
 10 GLN  HB3    52 LEU  HN      4.75   # peak   1990
 10 GLN  QG     10 GLN  HE21    5.74   # peak   2345
 10 GLN  QG     10 GLN  HE22    6.15   # peak   2340
 10 GLN  QG     11 CYSS HN      6.88   # peak   2249
 10 GLN  QG     52 LEU  HN      6.88   # peak   1991
 10 GLN  HE21   10 GLN  HE22    2.24   # peak   1761
 11 CYSS HN     52 LEU  HN      6.00   # peak   1466
 11 CYSS HN     11 CYSS HA      3.64   # peak   1439
 11 CYSS HN     11 CYSS HB2     3.23   # peak   1442
 11 CYSS HN     11 CYSS HB3     3.57   # peak   1440
 11 CYSS HN     12 ALA  HN      2.88   # peak   2250
 11 CYSS HA     11 CYSS HB2     3.53   # peak   1213
 11 CYSS HA     11 CYSS HB3     2.88   # peak   1392
 11 CYSS HA     12 ALA  HN      3.61   # peak   2292
 11 CYSS HA     12 ALA  QB      7.03   # peak   2588
 11 CYSS HA     13 VAL  HB      5.70   # peak   2590
 11 CYSS HA     13 VAL  QG2     5.24   # peak   2587
 11 CYSS HA     37 CYSS HB2     6.00   # peak   2586
 11 CYSS HA     37 CYSS HB3     5.28   # peak   2593
# 11 CYSS HA     42 ILE  QD1     7.03   # peak   2584
## 11 CYSS HA     49 PHE  HD1     6.00   # peak   2418 was 5.66 ov remove temp
 11 CYSS HA     49 PHE  HE1     6.00   # peak   2995
 11 CYSS HA     49 PHE  HZ      4.67   # peak   2422
 11 CYSS HA     49 PHE  HD2     6.00   # peak   2375
 11 CYSS HA     51 PRO  HA      3.49   # peak   2597
 11 CYSS HA     52 LEU  HN      4.02   # peak   1994
 11 CYSS HA     52 LEU  HA      6.00   # peak   2595 was 5.01 ov
 11 CYSS HA     52 LEU  HB2     6.00   # peak   2591
 11 CYSS HA     52 LEU  HB3     6.00   # peak   2589
 11 CYSS HB2    11 CYSS HB3     2.58   # peak   1394
 11 CYSS HB2    12 ALA  QB      6.00   # peak   2996
 11 CYSS HB2    13 VAL  QG2     7.03   # peak   2601
 11 CYSS HB2    37 CYSS HB3     3.83   # peak   2603
# 11 CYSS HB2    42 ILE  QD1     7.03   # peak   2602
 11 CYSS HB2    49 PHE  HZ      3.83   # peak   2955
 11 CYSS HB3    13 VAL  QG2     7.03   # peak   2598
 11 CYSS HB3    37 CYSS HB2     4.25   # peak   2914
 11 CYSS HB3    37 CYSS HB3     4.67   # peak   2600
 11 CYSS HB3    49 PHE  HD1     6.00   # peak   2963 was 4.82 ov
 11 CYSS HB3    49 PHE  HE1     4.97   # peak   2988
 12 ALA  HN     12 ALA  HA      3.30   # peak   1028
 12 ALA  HN     12 ALA  QB      4.22   # peak   1027
 12 ALA  HN     13 VAL  QG1     5.77   # peak   2291
 12 ALA  HN     51 PRO  HA      5.20   # peak   2989
 12 ALA  HA     12 ALA  QB      3.27   # peak   1025
 12 ALA  HA     13 VAL  HN      3.00   # peak   2258
 12 ALA  HA     13 VAL  QG1     7.03   # peak   2713 was 6.23 ov
 12 ALA  HA     13 VAL  QG2     7.03   # peak   2714
 12 ALA  QB     13 VAL  HN      5.01   # peak   2255
 13 VAL  HN     13 VAL  HA      3.45   # peak     46
 13 VAL  HN     13 VAL  HB      3.26   # peak     45
 13 VAL  HN     13 VAL  QG1     5.43   # peak     43
 13 VAL  HN     13 VAL  QG2     4.79   # peak     44
 13 VAL  HN     14 PRO  HD2     6.00   # peak   2423
 13 VAL  HN     18 ARG+ HG3     6.00   # peak   2965
 13 VAL  HN     18 ARG+ HE      6.00   # peak   2257
 13 VAL  HA     13 VAL  HB      3.57   # peak    141
 13 VAL  HA     13 VAL  QG1     3.65   # peak     36
 13 VAL  HA     13 VAL  QG2     3.95   # peak     37
 13 VAL  HA     14 PRO  HD2     4.29   # peak   2747
 13 VAL  HA     14 PRO  HD3     3.38   # peak   2746
 13 VAL  HA     52 LEU  HB2     3.42   # peak   2745
 13 VAL  HB     13 VAL  QG1     3.34   # peak     12
 13 VAL  HB     13 VAL  QG2     3.34   # peak     15
 13 VAL  HB     19 VAL  HN      6.00   # peak   1890
 13 VAL  HB     49 PHE  HD1     6.00   # peak   2403 was 3.64 ov
 13 VAL  HB     49 PHE  HZ      5.00   # peak   2402 was 3.71 ov
 13 VAL  HB     49 PHE  HD2     4.82   # peak   2368 
 13 VAL  QG1    13 VAL  QG2     5.05   # peak     14
 13 VAL  QG1    14 PRO  HD2     3.91   # peak   2784
 13 VAL  QG1    14 PRO  HD3     4.06   # peak   2786
 13 VAL  QG1    15 ALA  HA      7.03   # peak   2905
 13 VAL  QG1    17 ASP- HN      7.03   # peak   2367
 13 VAL  QG1    17 ASP- HA      7.03   # peak   2656 was 6.50 ov
 13 VAL  QG1    17 ASP- HB2     4.03   # peak   2664
 13 VAL  QG1    17 ASP- HB3     7.03   # peak   2662
 13 VAL  QG1    18 ARG+ HN      5.39   # peak   2307
 13 VAL  QG1    18 ARG+ HE      7.03   # peak   2579
 13 VAL  QG1    19 VAL  HN      6.31   # peak   1888
 13 VAL  QG1    49 PHE  HD1     7.03   # peak   2394 was 6.08 ov
 13 VAL  QG1    49 PHE  HZ      7.03   # peak   2393
 13 VAL  QG1    49 PHE  HD2     7.03   # peak   2366
 13 VAL  QG1    51 PRO  HA      7.03   # peak   2655 was 6.19 ov
 13 VAL  QG1    53 GLN  HN      5.55   # peak   2075
 13 VAL  QG1    53 GLN  HE21    7.03   # peak   2355
 13 VAL  QG1    53 GLN  HE22    7.03   # peak   2356
 13 VAL  QG2    14 PRO  HD2     5.13   # peak   2785
 13 VAL  QG2    14 PRO  HD3     5.62   # peak   2787
 13 VAL  QG2    15 ALA  HA      7.03   # peak   2912
 13 VAL  QG2    17 ASP- HA      7.03   # peak   2660 was 6.08 ov
 13 VAL  QG2    17 ASP- HB3     7.03   # peak   2663
 13 VAL  QG2    49 PHE  HD1     7.03   # peak   2397 was 4.33 ov
 13 VAL  QG2    49 PHE  HZ      4.94   # peak   2393
 13 VAL  QG2    49 PHE  HD2     5.09   # peak   2367
 13 VAL  QG2    51 PRO  HA      4.67   # peak   2644
 13 VAL  QG2    52 LEU  HN      5.13   # peak   1987
 13 VAL  QG2    52 LEU  HA      3.95   # peak   2771
 13 VAL  QG2    52 LEU  HB2     4.60   # peak   2774
 13 VAL  QG2    52 LEU  HB3     4.37   # peak   2777
 13 VAL  QG2    53 GLN  HN      7.03   # peak   2076
 13 VAL  QG2    53 GLN  HE21    7.03   # peak   2350
 13 VAL  QG2    53 GLN  HE22    7.03   # peak   2351
 14 PRO  HA     14 PRO  QB      3.53   # peak   2782
 14 PRO  HA     14 PRO  HG3     3.04   # peak   2781
 14 PRO  HA     14 PRO  HG2     2.81   # peak   2780
 14 PRO  HA     14 PRO  HD2     4.67   # peak    298
 14 PRO  HA     14 PRO  HD3     3.57   # peak    299
 14 PRO  HA     15 ALA  QB      4.86   # peak   2779
 14 PRO  QB     14 PRO  HG3     3.65   # peak   2783
 14 PRO  QB     14 PRO  HG2     3.08   # peak   1858
 14 PRO  QB     14 PRO  HD2     4.75   # peak   1818
 14 PRO  QB     14 PRO  HD3     4.79   # peak   2788
 14 PRO  QB     16 LYS+ HN      6.88   # peak   1735
 14 PRO  HG3    15 ALA  HN      6.00   # peak   2040
 14 PRO  HG3    16 LYS+ HN      6.00   # peak   2967
 14 PRO  HG2    15 ALA  HN      5.20   # peak   2032
 14 PRO  HD2    14 PRO  HD3     2.28   # peak   1837
 14 PRO  HD3    16 LYS+ HN      6.00   # peak   1730
 14 PRO  HD3    17 ASP- HN      6.00   # peak   2374
 15 ALA  HN     15 ALA  HA      3.26   # peak   2034
 15 ALA  HN     15 ALA  QB      4.41   # peak   2031
 15 ALA  HN     16 LYS+ HN      4.48   # peak   2041
 15 ALA  HN     18 ARG+ HA      6.00   # peak   2035 was 2.92 ov 
 15 ALA  HN     18 ARG+ HD3     4.67   # peak   2033
 15 ALA  HN     18 ARG+ HE      6.00   # peak   2036
 15 ALA  HA     15 ALA  QB      3.72   # peak   1023
 15 ALA  HA     16 LYS+ HN      3.95   # peak   2105
 15 ALA  HA     17 ASP- HN      4.59   # peak   2206
 15 ALA  HN     17 ASP- HA      6.00   # peak   1571
 15 ALA  HA     18 ARG+ HN      3.57   # peak   2311
 15 ALA  HA     18 ARG+ HA      6.00   # peak   2751 was 3.30 ov
 15 ALA  HA     18 ARG+ HB2     4.25   # peak   2906
 15 ALA  HA     18 ARG+ HG2     4.59   # peak   2907
 15 ALA  HA     18 ARG+ HG3     4.18   # peak   2900
 15 ALA  HA     18 ARG+ HD3     4.78   # peak   2911
 15 ALA  HA     18 ARG+ HD2     4.86   # peak   2908
 15 ALA  HA     18 ARG+ HE      5.24   # peak   2581
# 15 ALA  HA     42 ILE  QG2     7.03   # peak   2904
# 15 ALA  HA     42 ILE  QD1     5.81   # peak   2902
 15 ALA  HA     45 VAL  HB      4.59   # peak   2910
 15 ALA  HA     45 VAL  QG2     6.27   # peak   2901
 15 ALA  HA     45 VAL  QG1     7.03   # peak   2903
 15 ALA  HA     46 PRO  HG2     6.00   # peak   2909 was 5.13 ov
 15 ALA  HA     49 PHE  HZ      6.00   # peak   2956
 15 ALA  QB     18 ARG+ HG3     7.03   # peak   2895
 15 ALA  QB     18 ARG+ HD3     6.00   # peak   2761 was 4.56 ov
 15 ALA  QB     18 ARG+ HE      6.00   # peak   2580
# 15 ALA  QB     42 ILE  QG2     8.06   # peak   2899
# 15 ALA  QB     42 ILE  QD1     5.81   # peak   2897
 15 ALA  QB     45 VAL  HN      7.03   # peak   2444
 15 ALA  QB     45 VAL  HA      5.77   # peak   2674
 15 ALA  QB     45 VAL  HB      5.36   # peak   2684
 15 ALA  QB     45 VAL  QG2     8.06   # peak   2896
 15 ALA  QB     45 VAL  QG1     7.75   # peak   2898
 16 LYS+ HN     16 LYS+ HA      3.00   # peak   1273
 16 LYS+ HN     16 LYS+ HB2     3.50   # peak   1325 was 3.00 ov
 16 LYS+ HN     16 LYS+ HB3     3.07   # peak   1274
 16 LYS+ HN     16 LYS+ HG3     3.00   # peak   2102
 16 LYS+ HN     16 LYS+ HG2     4.25   # peak   1275
 16 LYS+ HN     16 LYS+ HD2     5.16   # peak   2103
 16 LYS+ HN     17 ASP- HN      3.15   # peak   2108
 16 LYS+ HN     17 ASP- HA      5.00   # peak   2110 was 4.10 ov
 16 LYS+ HN     17 ASP- HB3     4.14   # peak   2109
 16 LYS+ HN     18 ARG+ HN      4.44   # peak   2107
 16 LYS+ HN     42 ILE  QD1     7.03   # peak   2963
 16 LYS+ HN     45 VAL  QG1     7.03   # peak   2101
 16 LYS+ HA     16 LYS+ HB2     2.31   # peak   1314
 16 LYS+ HA     16 LYS+ HB3     2.58   # peak   1312
 16 LYS+ HA     16 LYS+ HG3     4.14   # peak   1307
 16 LYS+ HA     16 LYS+ HG2     5.35   # peak   1309
 16 LYS+ HA     16 LYS+ HD2     4.10   # peak   1316
 16 LYS+ HA     16 LYS+ HE2     6.00   # peak   1310
 16 LYS+ HA     16 LYS+ HE3     6.00   # peak   1311
 16 LYS+ HA     17 ASP- HN      3.80   # peak   2208
 16 LYS+ HA     17 ASP- HA      6.00   # peak   2658
 16 LYS+ HA     17 ASP- HB3     5.00   # peak   2826 was 3.64 ov
 16 LYS+ HA     18 ARG+ HN      4.06   # peak   2314
 16 LYS+ HA     45 VAL  QG2     7.03   # peak   2824
 16 LYS+ HA     45 VAL  QG1     6.00   # peak   2825 was 5.28 ov
 16 LYS+ HB2    16 LYS+ HG2     3.99   # peak   1348
 16 LYS+ HB2    16 LYS+ HE2     6.00   # peak   1302
 16 LYS+ HB2    16 LYS+ HE3     5.43   # peak   1301
 16 LYS+ HB2    17 ASP- HA      4.78   # peak   2668
 16 LYS+ HB3    16 LYS+ HG3     2.62   # peak   1346
 16 LYS+ HB3    16 LYS+ HG2     3.38   # peak   1344
 16 LYS+ HB3    16 LYS+ HE2     6.00   # peak   1333
 16 LYS+ HB3    16 LYS+ HE3     6.00   # peak   1334
 16 LYS+ HB3    17 ASP- HA      6.00   # peak   2667
 16 LYS+ HG3    16 LYS+ HG2     2.20   # peak   1341
 16 LYS+ HG3    16 LYS+ HE2     6.00   # peak   1330
 16 LYS+ HG3    16 LYS+ HE3     4.40   # peak   1326
 16 LYS+ HG3    17 ASP- HN      4.63   # peak   2203
 16 LYS+ HG3    17 ASP- HA      6.00   # peak   2657
 16 LYS+ HG3    18 ARG+ HN      6.00   # peak   2308
 16 LYS+ HG2    16 LYS+ HD2     4.02   # peak   1342
 16 LYS+ HG2    16 LYS+ HE2     6.00   # peak   1328
 16 LYS+ HG2    16 LYS+ HE3     4.86   # peak   1327
 16 LYS+ HG2    17 ASP- HN      6.00   # peak   2202
 16 LYS+ HG2    17 ASP- HA      6.00   # peak   2659
 16 LYS+ HD2    16 LYS+ HE2     6.00   # peak   1306
 16 LYS+ HD2    16 LYS+ HE3     3.83   # peak   1305
 16 LYS+ HD2    17 ASP- HA      6.00   # peak   2666
 17 ASP- HN     17 ASP- HA      3.45   # peak   1503
 17 ASP- HN     17 ASP- HB2     3.26   # peak   1741
 17 ASP- HN     17 ASP- HB3     3.23   # peak   1504
 17 ASP- HN     18 ARG+ HN      3.15   # peak   2210
 17 ASP- HN     18 ARG+ HA      4.63   # peak   2209
 17 ASP- HN     18 ARG+ HB2     4.94   # peak   2204
 17 ASP- HN     18 ARG+ HB3     5.85   # peak   2201
 17 ASP- HN     18 ARG+ HG3     6.00   # peak   2199
 17 ASP- HN     18 ARG+ HD3     4.44   # peak   2211
 17 ASP- HA     17 ASP- HB2     2.81   # peak   1730
 17 ASP- HA     17 ASP- HB3     2.58   # peak   1731
 17 ASP- HA     18 ARG+ HN      3.38   # peak   2315
 17 ASP- HA     53 GLN  HE22    6.00   # peak   2988
 17 ASP- HB2    17 ASP- HB3     2.28   # peak   1733
 17 ASP- HB3    18 ARG+ HN      3.53   # peak   2313
 17 ASP- HB3    18 ARG+ HA      5.00   # peak   2754 was 3.42 ov
 18 ARG+ HN     18 ARG+ HA      3.26   # peak   1074
 18 ARG+ HN     18 ARG+ HB2     2.96   # peak   1076
 18 ARG+ HN     18 ARG+ HB3     3.50   # peak   1077 was 3.26 ov
 18 ARG+ HN     18 ARG+ HG2     3.49   # peak   1075
 18 ARG+ HN     18 ARG+ HG3     4.40   # peak   1078
 18 ARG+ HN     18 ARG+ HD3     6.00   # peak   2457
 18 ARG+ HN     18 ARG+ HD2     4.14   # peak   2309
 18 ARG+ HN     18 ARG+ HE      5.62   # peak   2316
 18 ARG+ HN     19 VAL  HN      5.01   # peak   1892
 18 ARG+ HN     45 VAL  HB      6.00   # peak   2312
 18 ARG+ HN     45 VAL  QG2     7.03   # peak   2305
 18 ARG+ HN     45 VAL  QG1     7.03   # peak   2306
 18 ARG+ HN     46 PRO  HD2     6.00   # peak   2998
 18 ARG+ HA     18 ARG+ HB2     3.38   # peak   1098
 18 ARG+ HA     18 ARG+ HB3     3.45   # peak   2758
 18 ARG+ HA     18 ARG+ HG3     3.23   # peak   1079
 18 ARG+ HA     18 ARG+ HD2     4.67   # peak   2757
 18 ARG+ HA     18 ARG+ HE      6.00   # peak   2582
 18 ARG+ HA     19 VAL  HN      3.50   # peak   1861 was 3.38 ov with 52ha
 18 ARG+ HA     49 PHE  HA      5.00   # peak   2566 sov was 4.37
 18 ARG+ HA     49 PHE  HB2     5.24   # peak   2752
 18 ARG+ HA     49 PHE  HB3     6.00   # peak   2755
 18 ARG+ HA     49 PHE  HD1     6.00   # peak   2960 was 5.58 ov
 18 ARG+ HA     49 PHE  HD2     6.00   # peak   2965
 18 ARG+ HB2    18 ARG+ HB3     2.96   # peak   1102
 18 ARG+ HB2    18 ARG+ HG3     3.95   # peak   1084
 18 ARG+ HB2    18 ARG+ HD3     4.00   # peak   2763 was 3.76 sov
 18 ARG+ HB2    18 ARG+ HE      6.00   # peak   1110
 18 ARG+ HB2    19 VAL  HN      4.78   # peak   1863
 18 ARG+ HB2    20 ASP- HA      5.00   # peak   2718 was 3.99 ov
 18 ARG+ HB2    45 VAL  HA      5.43   # peak   2675
 18 ARG+ HB2    45 VAL  QG2     7.03   # peak   2768
 18 ARG+ HB2    46 PRO  HG2     5.43   # peak   2794
 18 ARG+ HB2    46 PRO  HD2     4.86   # peak   2809
 18 ARG+ HB2    46 PRO  HD3     4.25   # peak   2810
 18 ARG+ HB2    49 PHE  HA      6.00   # peak   2565
 18 ARG+ HB2    49 PHE  HB2     4.18   # peak   2575
 18 ARG+ HB2    49 PHE  HB3     5.13   # peak   2571
 18 ARG+ HB3    18 ARG+ HG2     3.64   # peak   1116
 18 ARG+ HB3    18 ARG+ HG3     4.06   # peak   1081
 18 ARG+ HB3    18 ARG+ HD3     3.99   # peak   1851
 18 ARG+ HB3    18 ARG+ HD2     3.99   # peak   2767
 18 ARG+ HB3    18 ARG+ HE      6.00   # peak   1111
 18 ARG+ HB3    19 VAL  HN      4.56   # peak   1862
 18 ARG+ HB3    45 VAL  HA      6.00   # peak   2673
 18 ARG+ HB3    45 VAL  QG2     7.03   # peak   2769
 18 ARG+ HB3    45 VAL  QG1     7.03   # peak   2770
 18 ARG+ HB3    49 PHE  HA      5.43   # peak   2558
 18 ARG+ HB3    49 PHE  HB3     4.29   # peak   2570
 18 ARG+ HG2    18 ARG+ HG3     2.85   # peak   1086
 18 ARG+ HG2    18 ARG+ HE      5.70   # peak   1109
 18 ARG+ HG2    19 VAL  HN      6.00   # peak   1864
 18 ARG+ HG2    49 PHE  HA      6.00   # peak   2559 was 4.37 ov
 18 ARG+ HG2    49 PHE  HB3     3.49   # peak   2572
 18 ARG+ HG2    49 PHE  HD1     5.39   # peak   2400
 18 ARG+ HG2    49 PHE  HD2     6.00   # peak   2405
 18 ARG+ HG3    18 ARG+ HD3     3.23   # peak   1082
 18 ARG+ HG3    18 ARG+ HD2     2.81   # peak   1083
 18 ARG+ HG3    18 ARG+ HE      6.00   # peak   1087
 18 ARG+ HG3    19 VAL  HN      6.00   # peak   1889
 18 ARG+ HG3    49 PHE  HB2     6.00   # peak   2576
 18 ARG+ HG3    49 PHE  HB3     6.00   # peak   2569
 18 ARG+ HG3    49 PHE  HZ      6.00   # peak   2978
 18 ARG+ HD3    18 ARG+ HD2     2.20   # peak   1119
 18 ARG+ HD3    18 ARG+ HE      6.00   # peak   1106
 18 ARG+ HD3    19 VAL  HN      6.00   # peak   1291
 18 ARG+ HD3    45 VAL  QG2     5.89   # peak   2759
 18 ARG+ HD3    45 VAL  QG1     7.03   # peak   2760 was 5.93 ov
 18 ARG+ HD3    49 PHE  HE1     6.00   # peak   2994
 18 ARG+ HD3    49 PHE  HD2     6.00   # peak   2369
 18 ARG+ HD2    18 ARG+ HE      6.00   # peak   1108
 18 ARG+ HD2    45 VAL  QG2     6.00   # peak   2764
 18 ARG+ HD2    45 VAL  QG1     7.03   # peak   2765 was 6.19 ov
 18 ARG+ HD2    47 TRP  HA      6.00   # peak   2607
## 18 ARG+ HD2    47 TRP  HD1     6.50   # peak   2974 was 4.89 ov
 18 ARG+ HD2    49 PHE  HA      5.16   # peak   2560
 18 ARG+ HD2    49 PHE  HB3     3.49   # peak   2573
 18 ARG+ HE     45 VAL  QG2     7.03   # peak   2578
 19 VAL  HN     19 VAL  HA      3.68   # peak     49
 19 VAL  HN     19 VAL  HB      3.64   # peak    133
 19 VAL  HN     19 VAL  QG1     5.66   # peak     48
 19 VAL  HN     19 VAL  QG2     5.66   # peak     47
 19 VAL  HN     20 ASP- HN      5.51   # peak   1894
 19 VAL  HN     20 ASP- HB3     6.00   # peak   1253
 19 VAL  HN     49 PHE  HA      6.00   # peak   1255
 19 VAL  HN     49 PHE  HB2     6.00   # peak   1866
 19 VAL  HN     50 LYS+ HN      6.00   # peak   1293
 19 VAL  HN     52 LEU  HA      6.00   # ov with 18ha
 19 VAL  HA     19 VAL  HB      3.11   # peak     50
 19 VAL  HA     19 VAL  QG1     3.68   # peak     23
 19 VAL  HA     19 VAL  QG2     3.57   # peak     20
 19 VAL  HA     20 ASP- HN      3.50   # peak   1986 was 2.54 ov
 19 VAL  HA     20 ASP- HB2     4.40   # peak   2812
 19 VAL  HA     20 ASP- HB3     6.00   # peak   2811
 19 VAL  HA     46 PRO  HG3     6.00   # peak   2813
 19 VAL  HB     19 VAL  QG1     3.34   # peak     16
 19 VAL  HB     19 VAL  QG2     3.65   # peak     85
 19 VAL  HB     20 ASP- HN      3.72   # peak   1979
 19 VAL  HB     49 PHE  HA      5.92   # peak   2561
 19 VAL  QG1    50 LYS+ HN      7.03   # peak   1608
 19 VAL  QG2    20 ASP- HN      4.44   # peak   1975
 19 VAL  QG2    20 ASP- HA      6.34   # peak   2727
 19 VAL  QG2    21 CYSS HN      7.03   # peak   1942
 19 VAL  QG2    21 CYSS HA      5.74   # peak   2732
 19 VAL  QG2    49 PHE  HA      7.03   # peak   2557
 19 VAL  QG2    49 PHE  HB3     5.58   # peak   2577
 20 ASP- HN     20 ASP- HA      3.34   # peak   1508
 20 ASP- HN     20 ASP- HB2     2.85   # peak   1509
 20 ASP- HN     20 ASP- HB3     3.50   # peak   1510
 20 ASP- HN     21 CYSS HN      4.67   # peak   1952
 20 ASP- HN     46 PRO  HB2     6.00   # peak   1980
 20 ASP- HN     46 PRO  HB3     6.00   # peak   1976
 20 ASP- HN     46 PRO  HG2     5.24   # peak   1978
 20 ASP- HN     46 PRO  HG3     5.16   # peak   1977
 20 ASP- HN     46 PRO  HD2     6.00   # peak   1984
 20 ASP- HN     46 PRO  HD3     6.00   # peak   1982
 20 ASP- HN     49 PHE  HA      5.35   # peak   1985
 20 ASP- HN     49 PHE  HB2     6.00   # peak   1981
 20 ASP- HN     49 PHE  HB3     6.00   # peak ov with 1510
 20 ASP- HA     20 ASP- HB2     3.15   # peak   1506
 20 ASP- HA     20 ASP- HB3     2.66   # peak   1507
 20 ASP- HA     21 CYSS HN      2.73   # peak   1940
 20 ASP- HA     22 GLY  HN      3.53   # peak   1962
 20 ASP- HA     46 PRO  HB2     3.87   # peak   2723
 20 ASP- HA     46 PRO  HB3     3.95   # peak   2719
 20 ASP- HA     46 PRO  HG2     3.99   # peak   2721
 20 ASP- HA     46 PRO  HG3     4.56   # peak   2720
 20 ASP- HA     49 PHE  HA      3.00   # peak   2568
 20 ASP- HA     49 PHE  HB2     4.90   # peak   2717
 20 ASP- HB2    20 ASP- HB3     2.20   # peak   1516
 20 ASP- HB2    21 CYSS HN      4.21   # peak   1937
 20 ASP- HB2    22 GLY  HN      4.59   # peak   1958
 20 ASP- HB2    46 PRO  HA      5.39   # peak   2808
 20 ASP- HB2    46 PRO  HB2     3.95   # peak   2725
 20 ASP- HB2    46 PRO  HG2     4.29   # peak   2724
 20 ASP- HB3    21 CYSS HN      6.00   # peak   1337
 20 ASP- HB3    22 GLY  HN      6.00   # peak   1371
 20 ASP- HB3    46 PRO  HA      6.00   # peak   2807 was 4.63 ov
 20 ASP- HB3    46 PRO  HD2     5.73   # peak   2795
 20 ASP- HB3    46 PRO  HD3     5.89   # peak   2796
 21 CYSS HN     21 CYSS HA      3.38   # peak   1456
 21 CYSS HN     21 CYSS HB3     3.15   # peak   1457
 21 CYSS HN     21 CYSS HB2     3.23   # peak   1458
 21 CYSS HN     22 GLY  QA      5.43   # peak   1954
 21 CYSS HN     23 TYR  HN      6.00   # peak   1950
 21 CYSS HN     23 TYR  HB2     6.00   # peak   2948
 21 CYSS HN     23 TYR  QD      8.14   # peak   1949
 21 CYSS HN     46 PRO  HB2     6.00   # peak   1345
 21 CYSS HN     46 PRO  HB3     6.00   # peak   1343
 21 CYSS HN     46 PRO  HG3     6.00   # peak   1344
 21 CYSS HN     48 CYSS HA      6.00   # peak   2985
 21 CYSS HN     48 CYSS HB2     6.00   # peak   1939
 21 CYSS HN     49 PHE  HN      6.00   # peak   1910
 21 CYSS HN     49 PHE  HA      3.11   # peak   1947
 21 CYSS HN     49 PHE  HB2     5.73   # peak   1938
 21 CYSS HN     50 LYS+ HN      4.40   # peak   1951
 21 CYSS HN     50 LYS+ HB2     6.00   # peak   1955
 21 CYSS HA     21 CYSS HB3     2.70   # peak   1416 was 2.66 sov
 21 CYSS HA     21 CYSS HB2     2.81   # peak   1417
 21 CYSS HA     22 GLY  HN      3.72   # peak   1961
 21 CYSS HA     49 PHE  HA      4.48   # peak   2567
 21 CYSS HA     50 LYS+ HN      5.28   # peak   2061
 21 CYSS HA     50 LYS+ HG2     3.23   # peak   2734
 21 CYSS HA     50 LYS+ HG3     3.23   # peak   2733
 21 CYSS HA     50 LYS+ HE3     3.99   # peak   2735
 21 CYSS HB3    21 CYSS HB2     2.50   # peak   1418
 21 CYSS HB3    22 GLY  HN      5.00   # peak   1960 was 3.95 ov
 21 CYSS HB3    23 TYR  QD      8.14   # peak   2488
 21 CYSS HB3    23 TYR  QE      8.13   # peak   2489
 21 CYSS HB3    49 PHE  HN      6.00   # peak   1913
 21 CYSS HB3    49 PHE  HA      4.18   # peak   2564
 21 CYSS HB2    22 GLY  HN      3.87   # peak   1959
 21 CYSS HB2    23 TYR  HN      6.00   # peak   2995
 21 CYSS HB2    23 TYR  QD      8.14   # peak   2484
 21 CYSS HB2    23 TYR  QE      8.13   # peak   2485
 21 CYSS HB2    49 PHE  HN      6.00   # peak   1912
 21 CYSS HB2    49 PHE  HA      5.01   # peak   2563
 21 CYSS HB2    50 LYS+ HN      5.73   # peak   2063
 22 GLY  HN     22 GLY  QA      3.99   # peak   1518
 22 GLY  HN     23 TYR  HN      3.42   # peak   1964
 22 GLY  HN     23 TYR  HA      6.00   # peak   1968
 22 GLY  HN     23 TYR  HB3     6.00   # peak   2950
 22 GLY  HN     23 TYR  HB2     6.00   # peak   2949
 22 GLY  HN     23 TYR  QD      8.14   # peak   1965
 22 GLY  HN     26 VAL  QG2     6.00   # peak   1956 miss was 37hb2
 22 GLY  HN     48 CYSS HB2     6.00   # peak   2944
 22 GLY  HN     49 PHE  HA      4.29   # peak   1966
 22 GLY  QA     23 TYR  HN      4.25   # peak   2254
 22 GLY  QA     23 TYR  HA      6.88   # peak   2624
 22 GLY  QA     23 TYR  QD      9.02   # peak   2491
 22 GLY  QA     48 CYSS HN      6.88   # peak   2946
 23 TYR  HN     23 TYR  HA      3.64   # peak   1487
 23 TYR  HN     23 TYR  HB3     4.14   # peak   1488
 23 TYR  HN     23 TYR  HB2     3.53   # peak   1489
 23 TYR  HN     23 TYR  QD      6.77   # peak   2358
 23 TYR  HN     26 VAL  HB      6.00   # peak   2414
 23 TYR  HN     26 VAL  QG2     5.70   # peak   2253
 23 TYR  HA     23 TYR  HB3     2.54   # peak   1493 
 23 TYR  HA     23 TYR  HB2     2.90   # peak   1494 was 2.58 ov
 23 TYR  HA     23 TYR  QD      7.19   # peak   2348
 23 TYR  HA     23 TYR  QE      8.13   # peak   2497
 23 TYR  HA     24 PRO  HG2     5.00   # peak   2622 was 4.18 ov
 23 TYR  HA     24 PRO  HG3     5.00   # peak   2621 was 3.83 ov
 23 TYR  HA     24 PRO  HD2     2.20   # peak   2625
 23 TYR  HA     26 VAL  QG1     6.53   # peak   2619
 23 TYR  HA     26 VAL  QG2     7.03   # peak   2618 was 5.93 ov
 23 TYR  HB3    23 TYR  HB2     2.20   # peak   1497
 23 TYR  HB3    23 TYR  QD      7.23   # peak   2487
 23 TYR  HB3    23 TYR  QE      8.13   # peak   2486
 23 TYR  HB3    24 PRO  HD2     3.30   # peak   2613 
 23 TYR  HB3    24 PRO  HD3     4.44   # peak   2874
 23 TYR  HB2    23 TYR  QD      7.23   # peak   2490
 23 TYR  HB2    23 TYR  QE      8.13   # peak   2482
 23 TYR  HB2    24 PRO  HD2     3.30   # peak   2614 was 2.62 ov
 23 TYR  HB2    24 PRO  HD3     5.00   # peak   2875 was 3.34 ov
 23 TYR  QD     23 TYR  QE      7.35   # peak   1033
 23 TYR  QD     26 VAL  HA      8.14   # peak   2495
 23 TYR  QD     26 VAL  HB      8.14   # peak   2477
 23 TYR  QD     26 VAL  QG1     9.17   # peak   2467
 23 TYR  QD     26 VAL  QG2     9.17   # peak   2466
 23 TYR  QD     31 CYSS HA      8.14   # peak   2493
 23 TYR  QD     34 ARG+ HB2     8.14   # peak   2474
 23 TYR  QD     34 ARG+ HB3     8.14   # peak   2478
 23 TYR  QD     34 ARG+ HG2     8.14   # peak   2473
 23 TYR  QD     34 ARG+ HG3     8.14   # peak   2470
 23 TYR  QD     34 ARG+ HD3     8.14   # peak   2480
 23 TYR  HE1    24 PRO  HD2     6.00   # peak   2966
 23 TYR  HE1    24 PRO  HD3     6.00   # peak   2967
 23 TYR  QE     26 VAL  HB      8.13   # peak   2476
 23 TYR  QE     26 VAL  QG1     9.16   # peak   2469
 23 TYR  QE     26 VAL  QG2     9.16   # peak   2468
 23 TYR  QE     27 THR  HN      8.13   # peak   2245
 23 TYR  HE1    30 GLU- QG      6.88   # peak   2977
 23 TYR  QE     31 CYSS HA      8.13   # peak   2494
 23 TYR  QE     34 ARG+ HA      8.13   # peak   2496
 23 TYR  QE     34 ARG+ HB2     8.13   # peak   2475
 23 TYR  QE     34 ARG+ HB3     8.13   # peak   2479
 23 TYR  QE     34 ARG+ HG2     8.13   # peak   2472
 23 TYR  QE     34 ARG+ HG3     8.13   # peak   2471
 23 TYR  QE     34 ARG+ HD3     8.13   # peak   2481
 24 PRO  HG2    24 PRO  HD2     2.47   # peak   2616
 24 PRO  HG2    25 HIS+ HD2     5.66   # peak   2517
 24 PRO  HG3    24 PRO  HD2     2.20   # peak   2615
 24 PRO  HG3    24 PRO  HD3     3.68   # peak   2876
 24 PRO  HG3    25 HIS+ HD2     6.00   # peak   2516
 24 PRO  HD2    25 HIS+ HD2     6.00   # peak   2521
 24 PRO  HD2    26 VAL  QG2     6.00   # peak   2882 ov was 5.85
 24 PRO  HD3    26 VAL  QG1     6.00   # peak   2881 ov was 4.67
 24 PRO  HD3    26 VAL  QG2     5.00   # peak   2880 ov was 4.14
## 24 PRO  HD3    48 CYSS HB2     6.00   # peak   2879 was 3.99 ov remove temp
 25 HIS+ HN     25 HIS+ HA      4.14   # peak   1725
 25 HIS+ HN     25 HIS+ HB3     5.05   # peak   1724
 25 HIS+ HA     25 HIS+ HB2     3.72   # peak   1809
 25 HIS+ HA     25 HIS+ HB3     2.43   # peak   1807
 25 HIS+ HA     25 HIS+ HD2     5.05   # peak   2524
 25 HIS+ HA     25 HIS+ HE1     6.50   # peak   2528 +0.5 as HIS
 25 HIS+ HA     26 VAL  HN      3.15   # peak   2285
 25 HIS+ HB3    25 HIS+ HD2     3.26   # peak   2520
 25 HIS+ HB3    25 HIS+ HE1     6.00   # peak   2525
 25 HIS+ HD2    25 HIS+ HE1     6.00   # peak   2529
 25 HIS+ HD2    26 VAL  QG2     7.03   # peak   2512
 25 HIS+ HD2    31 CYSS HA      6.00   # peak   2522
 25 HIS+ HD2    34 ARG+ HB3     4.37   # peak   2518
 25 HIS+ HD2    34 ARG+ HG2     4.02   # peak   2515
 25 HIS+ HD2    34 ARG+ HG3     6.00   # peak   2527
 25 HIS+ HE1    34 ARG+ HB3     6.00   # peak   2514
 25 HIS+ HE1    34 ARG+ HG2     6.00   # peak   2513
 26 VAL  HN     26 VAL  HA      3.19   # peak   1732
 26 VAL  HN     26 VAL  HB      3.50   # peak   1733 was 3.11 ov
 26 VAL  HN     26 VAL  QG2     3.91   # peak   1734
 26 VAL  HA     26 VAL  HB      2.35   # peak   2744
 26 VAL  HA     26 VAL  QG1     3.57   # peak     40
 26 VAL  HA     26 VAL  QG2     3.65   # peak     39
 26 VAL  HA     27 THR  HN      2.88   # peak   2239
 26 VAL  HA     38 PHE  HE1     6.00   # peak   2949
 26 VAL  HB     26 VAL  QG1     3.76   # peak      8
 26 VAL  HB     26 VAL  QG2     3.57   # peak      9
 26 VAL  HB     31 CYSS HN      5.00   # peak   2082 was 4.48 ov
 26 VAL  HB     38 PHE  HE1     6.00   # peak   2972
 26 VAL  QG1    26 VAL  QG2     5.74   # peak     11
 26 VAL  QG1    27 THR  HN      4.90   # peak   2240
 26 VAL  QG1    28 PRO  HA      7.03   # peak   2893 was 6.08 ov
 26 VAL  QG1    31 CYSS HN      4.98   # peak   2080
 26 VAL  QG1    31 CYSS HA      5.36   # peak   2841
 26 VAL  QG1    31 CYSS HB2     3.91   # peak   2554
 26 VAL  QG1    31 CYSS HB3     7.03   # peak   2843 ov was 4.37 
 26 VAL  QG1    47 TRP  HD1     6.00   # peak   2388 was 5.20 ov
 26 VAL  QG2    31 CYSS HA      7.03   # peak   2842
 26 VAL  QG2    31 CYSS HB2     4.29   # peak   2556
 26 VAL  QG2    31 CYSS HB3     4.98   # peak   2844
 26 VAL  QG2    38 PHE  QD      7.71   # peak   2378
 26 VAL  QG2    38 PHE  QE      7.67   # peak   2437
 26 VAL  QG2    38 PHE  HZ      5.20   # peak   2438
 26 VAL  QG2    47 TRP  HA      7.03   # peak   2605
 26 VAL  QG2    47 TRP  HB3     7.03   # peak   2611
 26 VAL  QG2    47 TRP  HE3     6.69   # peak   2215
 26 VAL  QG2    48 CYSS HB2     3.38   # peak   2532 
 26 VAL  QG2    48 CYSS HB3     3.30   # peak   2533 
 27 THR  HN     27 THR  HA      3.38   # peak   2238
 27 THR  HN     27 THR  HB      4.52   # peak   2237
 27 THR  HN     27 THR  QG2     7.03   # peak   2402
 27 THR  HN     30 GLU- HA      6.00   # peak   2993
 27 THR  HN     30 GLU- HB2     6.00   # peak   2405
 27 THR  HN     30 GLU- HB3     6.00   # peak   2403
 27 THR  HN     30 GLU- QG      6.88   # peak   2244
 27 THR  HA     27 THR  QG2     3.42   # peak   2698
 27 THR  HA     28 PRO  HD2     5.00   # peak   2700 was 2.47 in water 
 27 THR  HA     28 PRO  HD3     2.39   # peak   2699
 27 THR  HA     38 PHE  QD      8.12   # peak   2463
 27 THR  HA     38 PHE  QE      8.12   # peak   2464
 27 THR  HA     38 PHE  HZ      6.00   # peak   2465
 27 THR  HB     28 PRO  HD2     2.66   # peak   2702
 27 THR  HB     28 PRO  HD3     2.92   # peak   2701
 27 THR  QG2    28 PRO  HD2     4.60   # peak   2887
 27 THR  QG2    28 PRO  HD3     4.25   # peak   2890
 27 THR  QG2    30 GLU- HN      7.03   # peak   2424
 27 THR  QG2    30 GLU- HA      5.47   # peak   2830
 27 THR  QG2    30 GLU- QG      7.90   # peak   2837
 27 THR  QG2    38 PHE  HE1     7.03   # peak   2973
 27 THR  QG2    38 PHE  HZ      7.03   # peak   2442
 28 PRO  HA     28 PRO  HB2     2.58   # peak    314
 28 PRO  HA     28 PRO  HG3     3.68   # peak   2892
 28 PRO  HA     30 GLU- HN      4.78   # peak   2264
 28 PRO  HA     31 CYSS HN      6.00   # peak   1684
 28 PRO  HA     32 ASN  HN      6.00   # peak   1790
 28 PRO  HA     38 PHE  HB3     2.66   # peak   1830
 28 PRO  HA     38 PHE  HB2     3.99   # peak   2894
 28 PRO  HA     38 PHE  QE      6.98   # peak   2458
 28 PRO  HA     38 PHE  HZ      4.94   # peak   2961
 28 PRO  HB2    28 PRO  HG3     3.04   # peak    280
 28 PRO  HB2    28 PRO  HD2     3.80   # peak    177
 28 PRO  HB2    28 PRO  HD3     3.61   # peak    279
 28 PRO  HB2    29 LYS+ HN      5.00   # peak   2221 was 3.38 ov
 28 PRO  HB2    38 PHE  QD      6.56   # peak   2379
 28 PRO  HB2    38 PHE  QE      7.40   # peak   2439
 28 PRO  HB2    38 PHE  HZ      6.00   # peak   2970
 28 PRO  HB3    28 PRO  HG3     3.04   # peak    183
##28 PRO  QB     32 ASN  HA      6.00   # peak   2629 remove temp
 28 PRO  HG2    28 PRO  HG3     2.28   # peak    175
 28 PRO  HG2    28 PRO  HD2     3.45   # peak    178
 28 PRO  HG2    28 PRO  HD3     2.50   # peak    288
 28 PRO  HG2    38 PHE  QD      7.86   # peak   2380
 28 PRO  HG2    38 PHE  QE      7.70   # peak   2440
 28 PRO  HG2    38 PHE  HZ      5.43   # peak   2441
 28 PRO  HG3    28 PRO  HD2     3.80   # peak    167
 28 PRO  HG3    28 PRO  HD3     3.42   # peak    165
 28 PRO  HG3    29 LYS+ HN      6.00   # peak   2219
 28 PRO  HG3    38 PHE  QD      8.12   # peak   2436
 28 PRO  HG3    38 PHE  QE      7.25   # peak   2435
 28 PRO  HG3    38 PHE  HZ      5.51   # peak   2434
## 28 PRO  HG3    47 TRP  HZ2     6.00   # peak   2969 miss
 28 PRO  HD2    28 PRO  HD3     2.28   # peak    184
 28 PRO  HD2    29 LYS+ HN      4.94   # peak   2224
 28 PRO  HD2    38 PHE  HE1     5.47   # peak   2958
 28 PRO  HD2    38 PHE  HZ      6.00   # peak   2962
 28 PRO  HD3    29 LYS+ HN      4.86   # peak   2223
 28 PRO  HD3    29 LYS+ HA      5.77   # peak   2854
 28 PRO  HD3    38 PHE  QD      6.30   # peak   2383
 29 LYS+ HN     29 LYS+ HA      3.26   # peak   1277
 29 LYS+ HN     29 LYS+ HB2     3.15   # peak   1278
 29 LYS+ HN     29 LYS+ HB3     3.11   # peak   1282
 29 LYS+ HN     30 GLU- HN      3.45   # peak   2226
 29 LYS+ HN     31 CYSS HN      4.44   # peak   2091
 29 LYS+ HN     30 GLU- HB2     6.00   # peak   2999
 29 LYS+ HN     30 GLU- HB3     6.00   # peak   3000
 29 LYS+ HN     32 ASN  QB      6.88   # peak   2382
 29 LYS+ HA     29 LYS+ HB2     2.62   # peak   1289
 29 LYS+ HA     29 LYS+ HB3     3.30   # peak   1291 was 2.62 ov
 29 LYS+ HA     29 LYS+ HG2     3.30   # peak   1292
 29 LYS+ HA     29 LYS+ HG3     3.99   # peak   1293
 29 LYS+ HA     29 LYS+ HD2     3.26   # peak   1290
 29 LYS+ HA     29 LYS+ QE      6.69   # peak   1288
 29 LYS+ HA     32 ASN  HN      3.38   # peak   2847
## 29 LYS+ HA     32 ASN  HA      3.91   # peak   2634 temp remove
 29 LYS+ HA     32 ASN  QB      3.91   # peak   2846
 29 LYS+ HB2    29 LYS+ HB3     2.43   # peak   2848
 29 LYS+ HB2    29 LYS+ QE      6.88   # peak   1270
 29 LYS+ HB3    29 LYS+ QE      6.88   # peak   1295
 29 LYS+ HB3    30 GLU- HN      3.34   # peak   2262
 29 LYS+ HG2    29 LYS+ QE      6.15   # peak   1271
 29 LYS+ HG3    29 LYS+ QE      6.53   # peak   1276
 29 LYS+ HD2    29 LYS+ QE      5.39   # peak   1268
 29 LYS+ HD2    30 GLU- HA      4.44   # peak   2845
 30 GLU- HN     30 GLU- HA      3.15   # peak   1620
 30 GLU- HN     30 GLU- HB2     3.23   # peak   2263
 30 GLU- HN     30 GLU- HB3     3.19   # peak   1622
 30 GLU- HN     30 GLU- QG      5.39   # peak   1621
 30 GLU- HN     31 CYSS HN      3.11   # peak   2090
 30 GLU- HN     31 CYSS HA      5.00   # peak   2266 ov was 3.91
 30 GLU- HN     31 CYSS HB2     6.00   # peak   2267 sov was 4.02
 30 GLU- HN     31 CYSS HB3     6.00   # peak   2265 sov was 4.25
 30 GLU- HA     30 GLU- HB2     2.62   # peak   2827
 30 GLU- HA     30 GLU- HB3     2.85   # peak   1628
 30 GLU- HA     30 GLU- QG      5.47   # peak   1630
 30 GLU- HA     31 CYSS HN      3.95   # peak   2088
 30 GLU- HA     32 ASN  HN      5.20   # peak   2121
 30 GLU- HA     33 ASN  HN      3.42   # peak   2017
 30 GLU- HA     33 ASN  HB3     2.77   # peak   2829
 30 GLU- HA     33 ASN  HB2     3.00   # peak   2828
 30 GLU- HB3    33 ASN  HN      4.78   # peak   2025
 31 CYSS HN     31 CYSS HA      3.00   # peak   1633
 31 CYSS HN     31 CYSS HB2     3.50   # peak    391 was 2.85 ov
 31 CYSS HN     31 CYSS HB3     2.92   # peak   1648
 31 CYSS HN     32 ASN  HN      3.38   # peak   2092
 31 CYSS HN     32 ASN  QB      5.20   # peak   2086
 31 CYSS HN     33 ASN  HN      6.00   # peak   2022
 31 CYSS HN     38 PHE  HB2     6.00   # peak   2085
 31 CYSS HN     38 PHE  QD      8.12   # peak   2089
 31 CYSS HA     31 CYSS HB2     3.04   # peak   1413
 31 CYSS HA     31 CYSS HB3     2.81   # peak   1412
 31 CYSS HA     32 ASN  HN      3.38   # peak   2120
 31 CYSS HA     33 ASN  HN      3.53   # peak   2029
 31 CYSS HA     34 ARG+ HN      6.00   # peak   2432
 31 CYSS HA     36 CYSS HN      6.00   # peak   2994
 31 CYSS HA     38 PHE  HB2     5.13   # peak   2838
 31 CYSS HA     38 PHE  QD      7.78   # peak   2386
 31 CYSS HA     38 PHE  HE1     6.00   # peak   2959
 31 CYSS HA     48 CYSS HA      6.00   # peak   2534
 31 CYSS HB2    31 CYSS HB3     2.28   # peak   1655
 31 CYSS HB2    32 ASN  HN      5.00   # peak   2117 was 3.30 ov
## 31 CYSS HB2    32 ASN  HA      5.00   # peak   2631 was 4.56 bad volumn remove temp
 31 CYSS HB3    32 ASN  HN      3.11   # peak   2119
 31 CYSS HB3    32 ASN  HA      4.97   # peak   2632
 31 CYSS HB3    38 PHE  HB2     3.83   # peak   2839
 31 CYSS HB3    38 PHE  QD      6.15   # peak   2384
 32 ASN  HN     32 ASN  HA      3.23   # peak   1590
 32 ASN  HN     32 ASN  QB      3.91   # peak   1594
 32 ASN  HN     33 ASN  HN      3.26   # peak   2020
 32 ASN  HN     33 ASN  HA      5.09   # peak   2122
 32 ASN  HN     33 ASN  HB3     5.16   # peak   2129
 32 ASN  HN     34 ARG+ HN      4.06   # peak   2123
 32 ASN  HN     36 CYSS HN      6.00   # peak   2124
 32 ASN  HN     38 PHE  HB2     6.00   # peak   2128
 32 ASN  HA     32 ASN  QB      3.76   # peak   1589
 32 ASN  HA     33 ASN  HN      3.76   # peak   2021
 32 ASN  HA     33 ASN  HB3     6.00   # peak   2630
 32 ASN  HA     34 ARG+ HN      4.67   # peak   2272
 32 ASN  HA     35 GLY  HN      3.80   # peak   2165
 32 ASN  HA     35 GLY  HA2     4.71   # peak   2633
 32 ASN  HA     36 CYSS HN      3.76   # peak   2235
 32 ASN  HA     37 CYSS HA      5.43   # peak   2635
# 32 ASN  HA     42 ILE  QG2     7.03   # peak   2628
 32 ASN  QB     33 ASN  HN      6.88   # peak   1484
 32 ASN  QB     36 CYSS HN      4.94   # peak   2231
# 32 ASN  QB     42 ILE  QG2     7.90   # peak   2637
 33 ASN  HN     33 ASN  HA      2.96   # peak   1477
 33 ASN  HN     33 ASN  HB3     2.92   # peak   1475
 33 ASN  HN     33 ASN  HB2     3.19   # peak   1476
 33 ASN  HN     34 ARG+ HN      3.11   # peak   2018
 33 ASN  HN     34 ARG+ HA      4.94   # peak   2026
 33 ASN  HN     34 ARG+ HB2     4.48   # peak   2024
 33 ASN  HN     34 ARG+ HG3     6.00   # peak   2023
 33 ASN  HN     35 GLY  HN      4.37   # peak   2019
 33 ASN  HN     35 GLY  HA2     5.00   # peak   2028 was 4.44 ov
 33 ASN  HA     33 ASN  HB3     3.04   # peak   1481
 33 ASN  HA     33 ASN  HB2     2.47   # peak   1482
 33 ASN  HA     34 ARG+ HN      3.83   # peak   2270
 33 ASN  HA     35 GLY  HN      5.00   # peak   2164 was 3.95 ov
 33 ASN  HA     36 CYSS HN      5.16   # peak   2234
 33 ASN  HB3    33 ASN  HB2     2.20   # peak   1485
 33 ASN  HB3    34 ARG+ HN      3.64   # peak   2268
 33 ASN  HB2    34 ARG+ HN      3.80   # peak   2274
 34 ARG+ HN     34 ARG+ HA      3.34   # peak   1169
 34 ARG+ HN     34 ARG+ HB2     3.15   # peak   1166
 34 ARG+ HN     34 ARG+ HB3     3.34   # peak   1165
 34 ARG+ HN     34 ARG+ HG2     4.21   # peak   1167
 34 ARG+ HN     34 ARG+ HG3     4.82   # peak   1168
 34 ARG+ HN     34 ARG+ HD2     5.54   # peak   1163
 34 ARG+ HN     34 ARG+ HD3     6.00   # peak   1164
 34 ARG+ HN     35 GLY  HN      3.00   # peak   2166
 34 ARG+ HN     35 GLY  HA2     4.44   # peak   2273
 34 ARG+ HN     36 CYSS HN      6.00   # peak   2437
 34 ARG+ HA     34 ARG+ HB2     3.15   # peak   1179
 34 ARG+ HA     34 ARG+ HB3     2.58   # peak   1178
 34 ARG+ HA     34 ARG+ HG2     3.34   # peak   1180
 34 ARG+ HA     34 ARG+ HG3     4.14   # peak   1181
 34 ARG+ HA     34 ARG+ HD2     3.49   # peak   1176
 34 ARG+ HA     34 ARG+ HD3     3.87   # peak   1177
 34 ARG+ HA     35 GLY  HN      3.45   # peak   2163
 34 ARG+ HA     36 CYSS HN      6.00   # peak   2992
 34 ARG+ HB2    34 ARG+ HB3     2.62   # peak   1200
 34 ARG+ HB2    34 ARG+ HG3     2.47   # peak   1210
 34 ARG+ HB2    34 ARG+ HD2     4.21   # peak   1193
 34 ARG+ HB2    34 ARG+ HD3     3.99   # peak   1186
 34 ARG+ HB2    34 ARG+ HE      6.00   # peak   1220
 34 ARG+ HB2    35 GLY  HN      4.10   # peak   2159
 34 ARG+ HB2    36 CYSS HN      6.00   # peak   2229 was 4.44 ov
 34 ARG+ HB3    34 ARG+ HG2     2.35   # peak   1136
 34 ARG+ HB3    34 ARG+ HG3     2.85   # peak   1201
 34 ARG+ HB3    34 ARG+ HD2     3.34   # peak   1192
 34 ARG+ HB3    34 ARG+ HD3     3.95   # peak   1185
 34 ARG+ HB3    34 ARG+ HE      6.00   # peak   1219
 34 ARG+ HB3    36 CYSS HN      6.00   # peak   2230 was 4.86 ov
 34 ARG+ HG2    34 ARG+ HD2     3.64   # peak   1194
 34 ARG+ HG2    34 ARG+ HD3     3.68   # peak   1187
 34 ARG+ HG2    34 ARG+ HE      6.00   # peak   1221
 34 ARG+ HG2    35 GLY  HN      6.00   # peak   1843
 34 ARG+ HG3    34 ARG+ HD2     3.72   # peak   1195
 34 ARG+ HG3    34 ARG+ HD3     3.53   # peak   1188
 34 ARG+ HG3    34 ARG+ HE      6.00   # peak   1222
 34 ARG+ HD2    34 ARG+ HE      6.00   # peak   1217
 34 ARG+ HD3    34 ARG+ HE      6.00   # peak   1218
 35 GLY  HN     35 GLY  HA1     2.77   # peak   1378
 35 GLY  HN     35 GLY  HA2     2.69   # peak   1377
 35 GLY  HN     36 CYSS HN      3.00   # peak   2167
 35 GLY  HN     36 CYSS HB2     4.18   # peak   2160
 35 GLY  HN     36 CYSS HB3     4.78   # peak   2161
 35 GLY  HA1    35 GLY  HA2     2.50   # peak   1373
 35 GLY  HA1    36 CYSS HN      3.95   # peak   2227
 35 GLY  HA2    36 CYSS HN      3.72   # peak   2233
 35 GLY  HA2    37 CYSS HN      6.00   # peak   2006 was 4.59 ov
# 35 GLY  HA2    37 CYSS HA      6.00   # peak   1799 was 2.77 ov
 36 CYSS HN     36 CYSS HA      2.62   # peak   1691
 36 CYSS HN     36 CYSS HB2     3.42   # peak   1675
 36 CYSS HN     36 CYSS HB3     3.72   # peak   1674
 36 CYSS HN     37 CYSS HN      4.75   # peak   2012
 36 CYSS HA     36 CYSS HB2     2.88   # peak   1677
 36 CYSS HA     36 CYSS HB3     3.57   # peak   1676
 36 CYSS HA     37 CYSS HN      4.10   # peak   2007
## 36 CYSS HA     49 PHE  HN      6.00   # peak   1902 was 5.58 bad volumn - remove temp
 36 CYSS HB2    36 CYSS HB3     2.35   # peak   1685
 36 CYSS HB2    37 CYSS HN      3.23   # peak   2014
 36 CYSS HB2    50 LYS+ HA      5.00   # peak   2706 in water was 3.99
 36 CYSS HB3    37 CYSS HN      3.38   # peak   2013
 36 CYSS HB3    49 PHE  HN      6.00   # peak   1898
 36 CYSS HB3    50 LYS+ HN      6.00   # peak   2979
 36 CYSS HB3    50 LYS+ HA      4.21   # peak   2705
 37 CYSS HN     37 CYSS HA      3.68   # peak   1568
 37 CYSS HN     37 CYSS HB2     3.38   # peak   1569
 37 CYSS HN     37 CYSS HB3     3.61   # peak   1570
 37 CYSS HN     48 CYSS HA      6.00   # peak   2009 was 4.75 ov
 37 CYSS HN     49 PHE  HN      3.91   # peak   1907
 37 CYSS HN     49 PHE  HA      6.00   # peak   2010
 37 CYSS HN     51 PRO  HD2     5.77   # peak   2945
 37 CYSS HA     37 CYSS HB2     2.85   # peak   1608
 37 CYSS HA     37 CYSS HB3     3.11   # peak   1607
 37 CYSS HA     38 PHE  HN      2.92   # peak   1723
# 37 CYSS HA     39 ASP- HN      6.00   # peak   2980 spin
# 37 CYSS HA     42 ILE  QG2     7.03   # peak   2816
# 37 CYSS HA     42 ILE  QD1     4.71   # peak   2815
 37 CYSS HA     48 CYSS HA      6.00   # peak   2535
 37 CYSS HA     49 PHE  HN      6.00   # peak   1900
 37 CYSS HB2    37 CYSS HB3     3.26   # peak   1609
 37 CYSS HB2    38 PHE  HN      3.99   # peak   2042
 37 CYSS HB2    38 PHE  HA      4.18   # peak   2548
 37 CYSS HB2    39 ASP- HN      5.66   # peak   1914
 37 CYSS HB2    48 CYSS HA      4.14   # peak   2531
 37 CYSS HB2    49 PHE  HN      6.00   # peak   1878
 37 CYSS HB3    38 PHE  HN      4.02   # peak   2043
 37 CYSS HB3    38 PHE  HA      6.00   # peak   2551
# 37 CYSS HB3    42 ILE  QD1     6.00   # peak   2818
 37 CYSS HB3    48 CYSS HA      6.00   # peak   2537
 37 CYSS HB3    49 PHE  HN      6.00   # peak   1895
 37 CYSS HB3    49 PHE  HD1     5.62   # peak   2409
 37 CYSS HB3    49 PHE  HZ      3.72   # peak   2408
 37 CYSS N      49 PHE  O       3.30   # hydrogen bond
 37 CYSS HN     49 PHE  O       2.30   # hydrogen bond
 37 CYSS O      49 PHE  N       3.30   # hydrogen bond
 37 CYSS O      49 PHE  HN      2.30   # hydrogen bond
 38 PHE  HN     38 PHE  HA      3.72   # peak   1041
 38 PHE  HN     38 PHE  HB3     3.42   # peak   1582
 38 PHE  HN     38 PHE  HB2     3.72   # peak   1583
 38 PHE  HN     38 PHE  QD      7.97   # peak   2044
 38 PHE  HN     49 PHE  QE      8.12   # peak   1588
 38 PHE  HA     38 PHE  HB3     2.85   # peak   1560
 38 PHE  HA     38 PHE  HB2     2.88   # peak   1561
 38 PHE  HA     38 PHE  QD      5.58   # peak   2390
 38 PHE  HA     38 PHE  HE1     6.00   # peak   2950 was 4.48 ov
 38 PHE  HA     39 ASP- HN      2.62   # peak   1920
 38 PHE  HA     39 ASP- HA      6.00   # peak   2552
 38 PHE  HA     47 TRP  HE3     6.00   # peak   2951
 38 PHE  HA     48 CYSS HB2     5.51   # peak   2550
 38 PHE  HA     48 CYSS HB3     4.40   # peak   2549
## 38 PHE  HA     49 PHE  HD2     6.00   # peak ov with 48 HA
 38 PHE  HB3    38 PHE  HB2     3.04   # peak   1587
 38 PHE  HB3    38 PHE  QD      5.16   # peak   2382
 38 PHE  HB3    38 PHE  QE      6.68   # peak   2456
 38 PHE  HB3    39 ASP- HN      3.99   # peak   1918
 38 PHE  HB2    38 PHE  QD      5.54   # peak   2381
 38 PHE  HB2    38 PHE  QE      7.44   # peak   2448
 38 PHE  HB2    39 ASP- HN      3.95   # peak   1917
 38 PHE  HB2    48 CYSS HA      5.81   # peak   2540
 38 PHE  HB2    49 PHE  HN      6.00   # peak   1896
 38 PHE  QD     38 PHE  QE      7.58   # peak   1056
 38 PHE  QD     38 PHE  HZ      5.54   # peak   1069
 38 PHE  QD     39 ASP- HN      8.12   # peak   1331
 38 PHE  QD     39 ASP- HA      6.94   # peak   2389
 38 PHE  QD     40 SER  HN      8.12   # peak   2067
 38 PHE  QD     40 SER  HB2     8.12   # peak   2447
 38 PHE  HD1    40 SER  HB3     6.00   # peak   2976
 38 PHE  HD1    47 TRP  HB2     5.16   # peak   2975
 38 PHE  QD     48 CYSS HB2     6.72   # peak   2385
 38 PHE  QD     48 CYSS HB3     6.26   # peak   2387
 38 PHE  QD     49 PHE  HN      8.12   # peak   1905
 38 PHE  QE     39 ASP- HA      8.05   # peak   2461
 38 PHE  QE     40 SER  HN      8.12   # peak   2068
 38 PHE  QE     40 SER  HB2     6.49   # peak   2446
 38 PHE  HE1    47 TRP  HA      6.00   # peak   2948
 38 PHE  QE     47 TRP  HB3     6.98   # peak   2455
 38 PHE  QE     47 TRP  HB2     6.98   # peak   2452
 38 PHE  HE1    48 CYSS HB2     5.05   # peak   2957
 38 PHE  QE     48 CYSS HB3     7.44   # peak   2449
 38 PHE  HZ     39 ASP- HN      6.00   # peak   1333
 38 PHE  HZ     39 ASP- HA      5.00   # peak   2460 was 4.86 sov  
 38 PHE  HZ     40 SER  HB2     3.80   # peak   2445
 38 PHE  HZ     40 SER  HB3     3.80   # peak   2443
 39 ASP- HN     39 ASP- HA      3.49   # peak   1463
 39 ASP- HN     39 ASP- HB3     3.76   # peak   1464
 39 ASP- HN     39 ASP- HB2     3.53   # peak   1465
 39 ASP- HN     40 SER  HN      5.13   # peak   1925
 39 ASP- HN     40 SER  HB2     6.00   # peak   1322
 39 ASP- HN     47 TRP  HN      6.00   # peak   1935
 39 ASP- HN     47 TRP  HA      3.87   # peak   1919
 39 ASP- HN     47 TRP  HB2     5.47   # peak   1915
 39 ASP- HN     47 TRP  HZ3     6.00   # peak   1923 was 5.85 ov
## 39 ASP- HN     49 PHE  HD2     6.00   # peak   1921 remove temp
 39 ASP- HA     39 ASP- HB3     2.96   # peak   1466
 39 ASP- HA     39 ASP- HB2     3.07   # peak   1467
 39 ASP- HA     40 SER  HN      3.45   # peak   2064
 39 ASP- HA     41 ARG+ HN      3.72   # peak   2198
 39 ASP- HA     49 PHE  HD1     6.00   # peak   2954
 39 ASP- HB3    39 ASP- HB2     2.20   # peak   1468
 39 ASP- HB3    40 SER  HN      4.14   # peak   2071
 39 ASP- HB3    49 PHE  HZ      3.53   # peak   2412
 39 ASP- HB3    49 PHE  HD1     4.52   # peak   2414
 39 ASP- HB3    49 PHE  HD2     6.00   # peak   2373
 39 ASP- HB2    40 SER  HN      5.24   # peak   2072
 39 ASP- HB2    49 PHE  HZ      3.38   # peak   2411
 39 ASP- HB2    49 PHE  HD1     5.00   # peak   2413 was 3.87 ov
 39 ASP- HB2    49 PHE  HD2     6.00   # peak   2372
 40 SER  HN     40 SER  HA      3.91   # peak   1727
 40 SER  HN     40 SER  HB2     6.00   # peak   1632
 40 SER  HN     40 SER  HB3     6.00   # peak   1631
 40 SER  HN     41 ARG+ HN      3.95   # peak   2069
 40 SER  HN     41 ARG+ HA      4.97   # peak   2073
 40 SER  HA     40 SER  HB2     2.28   # peak   2918
 40 SER  HA     40 SER  HB3     2.43   # peak   1834
 40 SER  HA     41 ARG+ HN      3.83   # peak   2197
 40 SER  HA     41 ARG+ HA      6.00   # peak   2859
 40 SER  HA     42 ILE  HN      4.94   # peak   2144
 40 SER  HA     47 TRP  HA      4.52   # peak   2609
 40 SER  HA     47 TRP  HD1     3.99   # peak   2425
 40 SER  HA     47 TRP  HE1     6.00   # peak   1259
 40 SER  HA     47 TRP  HE3     5.77   # peak   2216
 40 SER  HA     47 TRP  HZ2     3.61   # peak   2453
 40 SER  HB2    40 SER  HB3     2.96   # peak   1832
 40 SER  HB2    41 ARG+ HN      6.00   # peak   2363
 40 SER  HB2    47 TRP  HA      6.00   # peak   2608
 40 SER  HB2    47 TRP  HB3     6.00   # peak   2612
 40 SER  HB2    47 TRP  HD1     6.50   # peak   2433 ov was 4.48 add 0.5 for hd1
 40 SER  HB2    47 TRP  HE1     6.00   # peak   1270
 40 SER  HB2    47 TRP  HE3     4.86   # peak   2213
 40 SER  HB3    47 TRP  HD1     6.50   # peak   2424 was 6.00 add 0.5 for hd1
 40 SER  HB3    47 TRP  HE3     5.16   # peak   2450
 41 ARG+ HN     41 ARG+ HA      3.04   # peak   1141
 41 ARG+ HN     41 ARG+ HB2     3.04   # peak   1143
 41 ARG+ HN     41 ARG+ HB3     2.92   # peak   1142
 41 ARG+ HN     41 ARG+ HG2     5.00   # peak   1144 was 3.45 ov
 41 ARG+ HN     41 ARG+ HG3     5.00   # peak   1145 was 3.85 ov
 41 ARG+ HN     41 ARG+ HD2     6.00   # peak   1214
 41 ARG+ HN     41 ARG+ HD3     5.89   # peak   1155
 41 ARG+ HN     42 ILE  HN      3.64   # peak   2150
 41 ARG+ HA     41 ARG+ HB2     2.92   # peak   1152
 41 ARG+ HA     41 ARG+ HB3     2.88   # peak   1151
 41 ARG+ HA     41 ARG+ HG2     3.04   # peak   1153
 41 ARG+ HA     41 ARG+ HG3     3.38   # peak   1154
 41 ARG+ HA     41 ARG+ HD2     5.77   # peak   2861
 41 ARG+ HA     41 ARG+ HD3     4.86   # peak   2860
 41 ARG+ HA     42 ILE  HN      3.80   # peak   2145
 41 ARG+ HA     42 ILE  HG13    5.09   # peak   2866
 41 ARG+ HA     42 ILE  QD1     5.66   # peak   2870
 41 ARG+ HA     47 TRP  HZ2     6.00   # peak   2363
 41 ARG+ HB2    41 ARG+ HD2     4.02   # peak   1122
 41 ARG+ HB2    41 ARG+ HD3     3.19   # peak   1127
 41 ARG+ HB2    42 ILE  HN      4.71   # peak   2141
 41 ARG+ HB3    41 ARG+ HD2     4.29   # peak   1121
 41 ARG+ HB3    41 ARG+ HD3     3.42   # peak   1128
 41 ARG+ HB3    42 ILE  HN      4.14   # peak   2142
 41 ARG+ HB3    42 ILE  HG13    4.29   # peak   2871
 41 ARG+ HG2    41 ARG+ HD3     3.61   # peak   1126
 41 ARG+ HG3    41 ARG+ HD2     3.57   # peak   2873
 41 ARG+ HG3    41 ARG+ HD3     2.88   # peak   1161
 42 ILE  HN     42 ILE  HA      5.24   # peak    219
 42 ILE  HN     42 ILE  HB      3.50   # peak    218 was 3.26 sov
 42 ILE  HN     42 ILE  QG2     7.03   # peak    215
 42 ILE  HN     42 ILE  HG13    4.56   # peak    224
 42 ILE  HN     42 ILE  HG12    5.32   # peak    223
 42 ILE  HN     42 ILE  QD1     7.03   # peak   1781
 42 ILE  HN     43 PRO  HD2     6.00   # peak   2146
 42 ILE  HN     45 VAL  QG2     7.03   # peak   2140
 42 ILE  HN     47 TRP  HA      6.00   # peak   2148
 42 ILE  HN     47 TRP  HD1     6.00   # peak   2149
 42 ILE  HN     47 TRP  HE1     6.00   # peak   1869
 42 ILE  HA     42 ILE  HB      3.57   # peak    389
 42 ILE  HA     42 ILE  QG2     5.20   # peak     82
 42 ILE  HA     42 ILE  HG12    4.97   # peak   2694
 42 ILE  HA     42 ILE  QD1     6.08   # peak   2693
 42 ILE  HA     43 PRO  HB3     5.00   # peak   2690 was 4.44 - too restrictive
 42 ILE  HA     43 PRO  HG2     4.40   # peak   2691
 42 ILE  HA     43 PRO  HD2     3.30   # peak   1859 was 2.50 ov
 42 ILE  HA     43 PRO  HD3     3.30   # peak   1860 was 2.35 ov
 42 ILE  HA     45 VAL  QG2     7.03   # peak   2692
 42 ILE  HB     42 ILE  QG2     3.49   # peak    202
 42 ILE  HB     42 ILE  HG12    3.76   # peak     61
 42 ILE  HB     42 ILE  QD1     3.23   # peak     96
 42 ILE  HB     43 PRO  HA      6.00   # peak   2643 was 3.91 - too restrictive
 42 ILE  HB     47 TRP  HD1     5.28   # peak   2431
 42 ILE  HB     47 TRP  HE1     6.00   # peak   1880
 42 ILE  QG2    42 ILE  HG13    4.90   # peak   2696
 42 ILE  QG2    42 ILE  HG12    7.03   # peak   2697
 42 ILE  QG2    42 ILE  QD1     6.92   # peak     84
 42 ILE  QG2    43 PRO  HA      6.80   # peak   2645
 42 ILE  QG2    43 PRO  HB3     7.03   # peak   2641
 42 ILE  QG2    43 PRO  HD2     5.05   # peak   2650 
 42 ILE  QG2    43 PRO  HD3     5.00   # peak   2653 was 3.80 ov
 42 ILE  QG2    45 VAL  HN      7.03   # peak   2928
 42 ILE  QG2    47 TRP  HD1     7.03   # peak   2428
 42 ILE  QG2    47 TRP  HE1     7.03   # peak   2957
 42 ILE  HG13   42 ILE  HG12    2.24   # peak    101
 42 ILE  HG13   42 ILE  QD1     3.91   # peak     95
 42 ILE  HG13   47 TRP  HD1     6.00   # peak   2429
 42 ILE  HG13   47 TRP  HE1     6.00   # peak   2951
 42 ILE  HG12   42 ILE  QD1     4.18   # peak     92
 42 ILE  HG12   43 PRO  HD3     5.09   # peak   2869
 42 ILE  QD1    43 PRO  HA      5.58   # peak   2646
 42 ILE  QD1    43 PRO  HB3     7.03   # peak   2640
 42 ILE  QD1    43 PRO  HD2     6.95   # peak   2651
 43 PRO  HA     43 PRO  HB3     2.58   # peak    291
 43 PRO  HA     43 PRO  HB2     2.35   # peak    293
 43 PRO  HA     43 PRO  HG2     2.54   # peak    292
 43 PRO  HA     43 PRO  HD2     4.82   # peak    305
 43 PRO  HA     43 PRO  HD3     4.06   # peak    304
 43 PRO  HA     44 GLY  HN      3.38   # peak   1973
 43 PRO  HA     45 VAL  HN      5.62   # peak   2300
 43 PRO  HA     45 VAL  QG2     7.03   # peak   2647
 43 PRO  HA     47 TRP  HD1     6.00   # peak   2304
 43 PRO  HA     47 TRP  HE1     6.00   # peak   1262
 43 PRO  HA     47 TRP  HZ2     4.33   # peak   2365
 43 PRO  HB3    43 PRO  HB2     2.28   # peak   2638
 43 PRO  HB3    43 PRO  HG2     2.58   # peak   2639
 43 PRO  HB3    43 PRO  HD2     4.37   # peak    289
 43 PRO  HB3    43 PRO  HD3     4.25   # peak    290
 43 PRO  HB3    44 GLY  HN      5.01   # peak   1972
 43 PRO  HB3    47 TRP  HZ2     5.24   # peak   2968
## 43 PRO  HB3    52 LEU  HG      6.00   # peak   2654 miss was 52qd1 7.03 - remove temp
 43 PRO  HB2    43 PRO  HD2     4.37   # peak    325
 43 PRO  HB2    43 PRO  HD3     3.00   # peak    295
 43 PRO  HB2    44 GLY  HN      4.75   # peak   1970
 43 PRO  HB2    47 TRP  HE1     6.00   # peak   1266
 43 PRO  HB2    47 TRP  HZ2     6.00   # peak   2361
 43 PRO  HG2    43 PRO  HD2     2.43   # peak    326
 43 PRO  HG2    43 PRO  HD3     2.28   # peak    294
 43 PRO  HG2    44 GLY  HN      6.00   # peak   1396
 43 PRO  HG2    47 TRP  HZ2     6.00   # peak   2362
 43 PRO  HG2    47 TRP  HE1     6.00   # peak   1267
 43 PRO  HD2    43 PRO  HD3     2.20   # peak    302
 43 PRO  HD2    47 TRP  HZ2     6.00   # peak   2364
 43 PRO  HD3    45 VAL  QG2     7.03   # peak   2652
 44 GLY  HN     44 GLY  HA1     3.72   # peak   1369
 44 GLY  HN     44 GLY  HA2     3.53   # peak   1368
 44 GLY  HN     45 VAL  HN      3.95   # peak   1974
 44 GLY  HN     45 VAL  QG2     7.03   # peak   1969
 44 GLY  HN     47 TRP  HE1     6.00   # peak   1887
 44 GLY  HA1    44 GLY  HA2     2.81   # peak   1370
 44 GLY  HA1    45 VAL  HN      4.48   # peak   2299
 44 GLY  HA1    45 VAL  QG2     7.03   # peak   2832
 44 GLY  HA1    45 VAL  QG1     7.03   # peak   2833
 44 GLY  HA2    45 VAL  HN      4.33   # peak   2297
 44 GLY  HA2    45 VAL  QG1     7.03   # peak   2834
 45 VAL  HN     45 VAL  HA      3.38   # peak     35
 45 VAL  HN     45 VAL  HB      3.76   # peak     32
 45 VAL  HN     45 VAL  QG2     5.96   # peak     29
 45 VAL  HN     45 VAL  QG1     6.88   # peak     31
 45 VAL  HN     46 PRO  HD2     6.00   # peak   2298
 45 VAL  HN     46 PRO  HD3     6.00   # peak   2296
 45 VAL  HN     47 TRP  HE1     6.00   # peak   2301
 45 VAL  HA     45 VAL  HB      2.47   # peak   2679
 45 VAL  HA     45 VAL  QG2     4.22   # peak     24
 45 VAL  HA     45 VAL  QG1     3.57   # peak     26
 45 VAL  HA     46 PRO  HA      5.54   # peak   2683
 45 VAL  HA     46 PRO  HB2     6.00   # peak   2680 was 3.83 - too restrictive
 45 VAL  HA     46 PRO  HB3     5.00   # peak   2676 was 3.64 - too restrictive
 45 VAL  HA     46 PRO  HG2     5.00   # peak   2678 was 4.06 - too restrictive
 45 VAL  HA     46 PRO  HG3     5.00   # peak   2677 was 3.95 - too restrictive
 45 VAL  HA     46 PRO  HD2     3.30   # peak   2682 was 2.47 ov
 45 VAL  HA     46 PRO  HD3     2.73   # peak   2681
 45 VAL  HA     47 TRP  HD1     6.00   # peak   2423
 45 VAL  HB     45 VAL  QG2     3.57   # peak      6
 45 VAL  HB     45 VAL  QG1     3.42   # peak      5
 45 VAL  HB     46 PRO  HD2     2.69   # peak   2804
 45 VAL  HB     46 PRO  HD3     3.04   # peak   2805
 45 VAL  HB     47 TRP  HD1     6.00   # peak   2432 was 5.58 ov
 45 VAL  QG2    45 VAL  QG1     5.59   # peak      7
 45 VAL  QG2    46 PRO  HA      7.03   # peak   2801
 45 VAL  QG2    46 PRO  HD2     4.98   # peak   2797
 45 VAL  QG2    46 PRO  HD3     5.32   # peak   2799
 45 VAL  QG2    47 TRP  HA      7.03   # peak   2604
 45 VAL  QG2    47 TRP  HD1     4.25   # peak   2426
 45 VAL  QG2    47 TRP  HE1     6.46   # peak   1870
 45 VAL  QG1    46 PRO  HA      7.03   # peak   2802
 45 VAL  QG1    46 PRO  HD2     4.25   # peak   2798
 45 VAL  QG1    46 PRO  HD3     4.71   # peak   2800
 45 VAL  QG1    47 TRP  HD1     7.03   # peak   2427
 45 VAL  QG1    49 PHE  HE1     7.03   # peak   2981 was 6.53 ov
 46 PRO  HA     46 PRO  HB2     2.43   # peak    266
 46 PRO  HA     46 PRO  HB3     3.42   # peak   2803
 46 PRO  HA     46 PRO  HG2     3.57   # peak    264
 46 PRO  HA     46 PRO  HG3     3.61   # peak    263
 46 PRO  HA     46 PRO  HD2     3.91   # peak    272
 46 PRO  HA     46 PRO  HD3     4.44   # peak    252
 46 PRO  HA     47 TRP  HN      2.81   # peak   2135
 46 PRO  HA     47 TRP  HA      6.00   # peak   2610
 46 PRO  HA     47 TRP  HD1     4.94   # peak   2303
 46 PRO  HA     48 CYSS HN      3.64   # peak   2054
 46 PRO  HB2    46 PRO  HB3     2.50   # peak    275
 46 PRO  HB2    46 PRO  HD2     3.83   # peak    248
 46 PRO  HB2    46 PRO  HD3     4.14   # peak    241
 46 PRO  HB2    49 PHE  HN      6.00   # peak   1911
 46 PRO  HB2    49 PHE  HA      3.95   # peak   2562
 46 PRO  HB2    49 PHE  HB2     5.24   # peak   2574
 46 PRO  HB2    49 PHE  HB3     3.04   # peak   2920
 46 PRO  HB3    46 PRO  HG2     2.20   # peak   2793
 46 PRO  HB3    46 PRO  HD2     3.57   # peak    271
 46 PRO  HB3    46 PRO  HD3     4.29   # peak    244
 46 PRO  HB3    47 TRP  HN      3.99   # peak   2130
 46 PRO  HB3    48 CYSS HN      4.25   # peak   2047
 46 PRO  HB3    49 PHE  HA      6.00   # ov with 2559
 46 PRO  HG2    46 PRO  HD3     3.53   # peak    245
 46 PRO  HG2    47 TRP  HN      6.00   # peak   2132
 46 PRO  HG2    47 TRP  HD1     6.50   # peak   2430 +0.5 for HD1
 46 PRO  HG3    46 PRO  HD2     2.96   # peak    247
 46 PRO  HG3    46 PRO  HD3     3.19   # peak    243
 46 PRO  HG3    47 TRP  HN      6.00   # peak   2131
 46 PRO  HD2    46 PRO  HD3     2.43   # peak    240
 47 TRP  HN     47 TRP  HA      3.76   # peak   1446
 47 TRP  HN     47 TRP  HB3     3.38   # peak   1447
 47 TRP  HN     47 TRP  HB2     3.34   # peak   1448
 47 TRP  HN     47 TRP  HD1     4.37   # peak   2137
 47 TRP  HN     47 TRP  HE1     6.00   # peak   1886
 47 TRP  HN     48 CYSS HN      3.80   # peak   2053
 47 TRP  HN     48 CYSS HA      6.00   # peak   2136
 47 TRP  HN     48 CYSS HB2     5.16   # peak   2134
 47 TRP  HN     49 PHE  QE      8.12   # peak   2138
 47 TRP  HA     47 TRP  HB3     3.00   # peak   1396
 47 TRP  HA     47 TRP  HB2     3.38   # peak   1397
 47 TRP  HA     47 TRP  HD1     2.47   # peak   2302
 47 TRP  HA     47 TRP  HE3     5.66   # peak   2217
 47 TRP  HA     47 TRP  HE1     5.66   # peak   1873
 47 TRP  HA     48 CYSS HN      4.52   # peak   2051
 47 TRP  HA     48 CYSS HA      6.00   # peak   2546
 47 TRP  HA     49 PHE  HD1     6.00   # peak   2953
 47 TRP  HA     49 PHE  HE1     5.00   # peak   2983 was 4.02 ov
 47 TRP  HA     49 PHE  HZ      6.00   # peak   2947
 47 TRP  HB3    47 TRP  HB2     2.50   # peak   1398
 47 TRP  HB3    47 TRP  HD1     3.99   # peak   1735
 47 TRP  HB3    47 TRP  HE1     6.00   # peak   2947
 47 TRP  HB3    47 TRP  HE3     3.57   # peak   2218
 47 TRP  HB3    48 CYSS HN      3.76   # peak   2050
 47 TRP  HB2    47 TRP  HD1     3.23   # peak   1736
 47 TRP  HB2    47 TRP  HE3     3.49   # peak   2214
 47 TRP  HB2    47 TRP  HZ2     6.18   # peak   2451 was 4.21 too restrictive
 47 TRP  HB2    48 CYSS HN      3.91   # peak   2048
 47 TRP  HB2    48 CYSS HA      6.00   # peak   2538
 47 TRP  HD1    47 TRP  HE3     4.86   # peak   2392
 47 TRP  HD1    47 TRP  HE1     3.11   # peak   1063
 47 TRP  HD1    48 CYSS HN      6.00   # peak   1598
 47 TRP  HE3    47 TRP  HZ3     2.81   # peak   1052
 47 TRP  HE3    47 TRP  HZ2     3.15   # peak   1065
 47 TRP  HE1    47 TRP  HZ3     6.00   # peak   1073
 47 TRP  HE1    47 TRP  HZ2     3.83   # peak   1868
 47 TRP  HZ2    47 TRP  HH2     2.47   # peak   1053
 48 CYSS HN     48 CYSS HA      3.99   # peak   1040
 48 CYSS HN     48 CYSS HB2     3.95   # peak   1575
 48 CYSS HN     48 CYSS HB3     3.57   # peak   1576
 48 CYSS HN     49 PHE  HN      4.59   # peak   1908
 48 CYSS HN     49 PHE  HB3     6.00   # peak   1595
 48 CYSS HA     48 CYSS HB2     3.07   # peak   1549
 48 CYSS HA     48 CYSS HB3     3.34   # peak   1550
 48 CYSS HA     49 PHE  HN      3.19   # peak   1903
 48 CYSS HA     49 PHE  HA      4.90   # peak   2547
 48 CYSS HA     49 PHE  HB2     6.00   # peak   2541 was 3.30 ov
 48 CYSS HA     49 PHE  HB3     6.00   # peak   2539 
 48 CYSS HA     49 PHE  HD1     5.73   # peak   2421
 48 CYSS HA     49 PHE  HZ      6.00   # peak   2946 was 5.39 ov
 48 CYSS HA     49 PHE  HD2     6.00   # peak   2377 ov with 38HA
 48 CYSS HB2    48 CYSS HB3     2.54   # peak   1580
 48 CYSS HB2    49 PHE  HN      5.28   # peak   1899
 48 CYSS HB3    49 PHE  HN      4.59   # peak   1897
 49 PHE  HN     49 PHE  HA      4.10   # peak   1037
 49 PHE  HN     49 PHE  HB2     4.33   # peak   1452
 49 PHE  HN     49 PHE  HB3     5.09   # peak   1453
 49 PHE  HN     49 PHE  HD1     6.00   # peak   1906
 49 PHE  HN     49 PHE  HD2     6.00   # peak   1904
 49 PHE  HN     50 LYS+ HA      6.00   # peak   1305
 49 PHE  HA     49 PHE  HB2     2.69   # peak   1405
 49 PHE  HA     49 PHE  HB3     2.54   # peak   1406
 49 PHE  HA     49 PHE  HD1     5.28   # peak   2420
 49 PHE  HA     49 PHE  HD2     6.00   # peak   2376
 49 PHE  HA     50 LYS+ HN      3.00   # peak   2062
 49 PHE  HB2    49 PHE  HB3     2.69   # peak   1407
 49 PHE  HB2    49 PHE  HD1     4.21   # peak   2417
 49 PHE  HB2    49 PHE  HD2     4.33   # peak   2374
 49 PHE  HB2    50 LYS+ HN      3.26   # peak   2057
 49 PHE  HB3    49 PHE  HD1     3.64   # peak   2406
 49 PHE  HB3    49 PHE  HE1     6.00   # peak   2990
 49 PHE  HB3    49 PHE  HD2     4.67   # peak   2371
 49 PHE  HB3    50 LYS+ HN      3.57   # peak   2056
 49 PHE  HD1    49 PHE  HD2     3.23   # peak   1694
## 49 PHE  HD1    51 PRO  HA      6.00   # peak   2952 was 4.67 ov - rt spin
 49 PHE  HE1    49 PHE  HD2     4.14   # peak   2984
 49 PHE  HZ     49 PHE  HD2     3.38   # peak   1046
 50 LYS+ HN     50 LYS+ HA      3.45   # peak   1230
 50 LYS+ HN     50 LYS+ HB2     2.92   # peak   1229
 50 LYS+ HN     50 LYS+ HG2     3.83   # peak   1228
 50 LYS+ HN     51 PRO  HD2     6.00   # peak   2060
 50 LYS+ HN     51 PRO  HD3     6.00   # peak   2059
 50 LYS+ HA     50 LYS+ HB2     3.30   # peak   1236 was 2.24 ov
 50 LYS+ HA     50 LYS+ HB3     2.73   # peak   1227
 50 LYS+ HA     50 LYS+ HG2     3.42   # peak   1238
 50 LYS+ HA     50 LYS+ HG3     3.19   # peak   1237
 50 LYS+ HA     51 PRO  HD2     4.00   # peak   1717 ov was 2.66
 50 LYS+ HA     51 PRO  HD3     2.50   # peak   1718
 50 LYS+ HB2    50 LYS+ HG2     2.39   # peak   1266
 50 LYS+ HB2    50 LYS+ HE2     4.25   # peak   1240
 50 LYS+ HB2    50 LYS+ HE3     3.72   # peak   1245
 50 LYS+ HB2    52 LEU  HN      6.00   # peak   1416
 50 LYS+ HB3    50 LYS+ HE2     4.90   # peak   1239
 50 LYS+ HB3    50 LYS+ HE3     3.72   # peak   1246
 50 LYS+ HG2    50 LYS+ HE2     4.06   # peak   1244
 50 LYS+ HG2    50 LYS+ HE3     3.80   # peak   1251
 50 LYS+ HG3    50 LYS+ HE2     3.80   # peak   1252
 50 LYS+ HG3    50 LYS+ HE3     3.80   # peak   1243
 50 LYS+ HD2    50 LYS+ HE2     3.45   # peak   1241
 50 LYS+ HD2    50 LYS+ HE3     3.45   # peak   1223
 50 LYS+ HD3    50 LYS+ HE2     3.61   # peak   1242
 50 LYS+ HD3    50 LYS+ HE3     4.29   # peak   1225
 51 PRO  HA     51 PRO  HD2     4.44   # peak   1719
 51 PRO  HA     51 PRO  HD3     5.09   # peak   1720
 51 PRO  HA     52 LEU  HN      2.66   # peak   1996
 51 PRO  HD2    51 PRO  HD3     2.85   # peak   1836
 51 PRO  HD2    52 LEU  HN      6.00   # peak   1999
 51 PRO  HD3    52 LEU  HN      6.00   # peak   1998
 52 LEU  HN     52 LEU  HA      3.00   # peak    350
 52 LEU  HN     52 LEU  HB2     2.88   # peak    351
 52 LEU  HN     52 LEU  HB3     2.77   # peak    354
 52 LEU  HN     52 LEU  HG      5.00   # peak    355 was 4.06 ov
 52 LEU  HN     52 LEU  QD1     5.09   # peak    356
 52 LEU  HN     52 LEU  QD2     5.09   # peak    357
 52 LEU  HN     53 GLN  HN      4.59   # peak   2001
 52 LEU  HN     54 GLU- HB2     6.00   # peak   1417
 52 LEU  HA     52 LEU  HB2     2.50   # peak    349
 52 LEU  HA     52 LEU  HB3     3.30   # peak    262 was 2.39 ov
 52 LEU  HA     52 LEU  HG      2.66   # peak    345
 52 LEU  HA     52 LEU  QD1     5.00   # peak    358 was 3.84 ov
 52 LEU  HA     52 LEU  QD2     3.87   # peak    359
 52 LEU  HA     53 GLN  HN      2.58   # peak   2074
 52 LEU  HB2    52 LEU  HG      2.31   # peak     52
 52 LEU  HB2    52 LEU  QD1     3.34   # peak     53
 52 LEU  HB2    52 LEU  QD2     4.00   # peak    360 was 3.34 ov
 52 LEU  HB3    52 LEU  HG      5.00   # peak   2776 was 2.20 - too restrictive
 52 LEU  HB3    52 LEU  QD1     3.23   # peak   2775
 52 LEU  HB3    52 LEU  QD2     3.23   # peak   2944
 52 LEU  HB3    53 GLN  HN      6.00   # peak   1670
 52 LEU  HB3    54 GLU- HN      6.00   # peak   2954
 53 GLN  HN     53 GLN  HA      3.26   # peak    424
 53 GLN  HN     53 GLN  HB2     2.85   # peak    421
 53 GLN  HN     53 GLN  HB3     3.30   # peak    422
 53 GLN  HN     53 GLN  HG3     4.44   # peak    423
 53 GLN  HN     55 ALA  QB      7.03   # peak   1662
 53 GLN  HA     53 GLN  HB2     2.58   # peak    426
 53 GLN  HA     53 GLN  HB3     2.85   # peak    425
 53 GLN  HA     53 GLN  HG2     6.00   # peak   2319
 53 GLN  HA     53 GLN  HG3     3.57   # peak    428
 53 GLN  HA     53 GLN  HE21    6.00   # peak   2357
 53 GLN  HA     53 GLN  HE22    6.00   # peak   2354
 53 GLN  HA     54 GLU- HN      2.81   # peak   2093
 53 GLN  HB2    53 GLN  HG3     3.23   # peak    436
 53 GLN  HB3    53 GLN  HG3     2.88   # peak    438
 53 GLN  HG3    53 GLN  HE21    5.54   # peak   2352
 53 GLN  HG3    53 GLN  HE22    6.00   # peak   2353
 53 GLN  HG3    54 GLU- HN      5.85   # peak   2094
 53 GLN  HE21   53 GLN  HE22    2.31   # peak   1760
 54 GLU- HN     54 GLU- HA      3.76   # peak    403
 54 GLU- HN     54 GLU- HB2     3.26   # peak    405
 54 GLU- HN     54 GLU- HB3     3.30   # peak    406
 54 GLU- HN     54 GLU- QG      5.81   # peak    404
 54 GLU- HN     55 ALA  QB      7.03   # peak   2952
 54 GLU- HA     54 GLU- HB2     2.43   # peak    408
 54 GLU- HA     54 GLU- HB3     2.50   # peak    407
 54 GLU- HA     54 GLU- QG      5.24   # peak    409
 54 GLU- HA     55 ALA  HN      2.77   # peak   2113
 54 GLU- QG     55 ALA  HN      6.88   # peak   2114
 55 ALA  HN     55 ALA  HA      3.80   # peak   1018
 55 ALA  HN     55 ALA  QB      4.60   # peak   1019
 55 ALA  HA     55 ALA  QB      4.29   # peak   1016
 56 GLU- HB3    56 GLU- HG2     3.68   # peak    441
 58 THR  HN     58 THR  HA      5.09   # peak    162
 58 THR  HN     58 THR  HB      4.52   # peak   1014
 58 THR  HN     58 THR  HG1     6.00   # peak    161
 58 THR  HA     58 THR  HB      3.57   # peak     90
 58 THR  HA     58 THR  QG2     5.51   # peak   1008
 58 THR  HA     58 THR  HG1     4.48   # peak     87
 58 THR  HB     58 THR  QG2     4.90   # peak   1007
 58 THR  HB     58 THR  HG1     4.63   # peak     86
 59 PHE  HD1    59 PHE  HE1     3.80   # peak   1057
 59 PHE  HD1    59 PHE  HZ      6.00   # peak   1696


Please acknowledge these references in publications where the data from this site have been utilized.

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