*HEADER    VIRAL PROTEIN                           01-MAY-15   2N28              
*TITLE     SOLID-STATE NMR STRUCTURE OF VPU                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEIN VPU;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: U ORF PROTEIN, VIRAL PROTEIN U;                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1;                 
*SOURCE   3 ORGANISM_COMMON: HIV-1;                                              
*SOURCE   4 ORGANISM_TAXID: 11676;                                               
*SOURCE   5 GENE: VPU;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: C41;                                       
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET31B+                                   
*KEYWDS    ALPHA HELIX, VIRAL PROTEIN                                            
*EXPDTA    SOLID-STATE NMR                                                       
*NUMMDL    1                                                                     
*AUTHOR    H.ZHANG, E.C.LIN, Y.TIAN, B.B.DAS, S.J.OPELLA                         
*REVDAT   1   30-SEP-15 2N28    0                                                


ATOM   1323  PA1 ANI B5000     -90.464-239.829  13.352  1.00  0.00 
ATOM   1324  PA2 ANI B5000     -90.969-238.874  14.265  1.00  0.00 
ATOM   1325 OO   ANI B5000     -90.522-238.830  13.372  1.00  0.00 
ATOM   1326 OO2  ANI B5000     -90.522-238.830  13.372  1.00  0.00 
ATOM   1327  X   ANI B5000     -91.392-239.044  12.926  1.00  0.00 
ATOM   1328  Y   ANI B5000     -90.311-239.805  13.429  1.00  0.00 
ATOM   1329  Z   ANI B5000     -90.969-238.874  14.265  1.00  0.00 

! 1. V 9 Phi -64.31 +/- 29.82 (-94.13 to -34.50)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -64.31    10 2

! 2. A 10 Phi -64.34 +/- 9.87 (-74.22 to -54.47)

assign (resid   9 and name  C) (resid  10 and name  N) 
       (resid  10 and name CA) (resid  10 and name  C) 1.0   -64.34     10 2

! 3. L 11 Phi -61.46 +/- 12.74 (-74.20 to -48.72)

assign (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (resid  11 and name  C) 1.0   -61.46    10 2

! 4. V 12 Phi -64.26 +/- 12.43 (-76.70 to -51.83)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -64.26    10 2

! 5. V 13 Phi -63.08 +/- 12.87 (-75.94 to -50.21)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0   -63.08    10 2

! 6. A 14 Phi -60.90 +/- 13.23 (-74.13 to -47.67)

assign (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (resid  14 and name  C) 1.0   -60.90    10 2

! 7. I 15 Phi -64.38 +/- 9.60 (-73.99 to -54.78)

assign (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (resid  15 and name  C) 1.0   -64.38     10 2

! 8. I 16 Phi -61.36 +/- 13.98 (-75.34 to -47.38)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0   -61.36    10 2

! 9. I 17 Phi -64.31 +/- 10.87 (-75.18 to -53.44)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0   -64.31    10 2

! 10. A 18 Phi -67.18 +/- 30.24 (-97.42 to -36.94)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0   -67.18    10 2

! 11. I 19 Phi -68.00 +/- 21.94 (-89.95 to -46.06)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0   -68.00    10 2

! 12. V 20 Phi -61.92 +/- 11.48 (-73.41 to -50.44)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -61.92    10 2

! 13. V 21 Phi -70.72 +/- 24.14 (-94.86 to -46.58)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -70.72    10 2

! 14. W 22 Phi -91.70 +/- 37.10 (-128.80 to -54.61)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0   -91.70    10 2

! 15. S 23 Phi -66.90 +/- 35.85 (-102.75 to -31.05)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0   -66.90    20 2

! 16. I 24 Phi -62.26 +/- 9.17 (-71.43 to -53.09)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0   -62.26     20 2

! 17. V 25 Phi -67.00 +/- 16.59 (-83.59 to -50.41)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0   -67.00    20 2

! 18. I 26 Phi -61.55 +/- 9.02 (-70.57 to -52.53)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0   -61.55     20 2

! 19. I 27 Phi -65.19 +/- 41.04 (-106.24 to -24.15)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0   -65.19    20 2

! 20. Q 35 Phi -61.18 +/- 15.02 (-76.21 to -46.16)

assign (resid  34 and name  C) (resid  35 and name  N) 
       (resid  35 and name CA) (resid  35 and name  C) 1.0   -61.18    10 2

! 21. R 36 Phi -62.25 +/- 15.67 (-77.93 to -46.58)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0   -62.25    10 2

! 22. K 37 Phi -62.90 +/- 13.12 (-76.02 to -49.78)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0   -62.90    10 2

! 23. I 38 Phi -62.23 +/- 7.06 (-69.29 to -55.17)

assign (resid  37 and name  C) (resid  38 and name  N) 
       (resid  38 and name CA) (resid  38 and name  C) 1.0   -62.23     10 2

! 24. D 39 Phi -72.39 +/- 28.30 (-100.69 to -44.09)

assign (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (resid  39 and name  C) 1.0   -72.39    10 2

! 25. R 40 Phi -94.45 +/- 42.23 (-136.68 to -52.22)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -94.45    10 2

! 26. L 41 Phi -64.01 +/- 19.28 (-83.29 to -44.73)

assign (resid  40 and name  C) (resid  41 and name  N) 
       (resid  41 and name CA) (resid  41 and name  C) 1.0   -64.01    10 2

! 27. I 42 Phi -63.77 +/- 10.36 (-74.14 to -53.41)

assign (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (resid  42 and name  C) 1.0   -63.77    10 2

! 28. D 43 Phi -67.78 +/- 21.98 (-89.77 to -45.80)

assign (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (resid  43 and name  C) 1.0   -67.78    10 2

! 29. R 44 Phi -73.13 +/- 27.76 (-100.88 to -45.37)

assign (resid  43 and name  C) (resid  44 and name  N) 
       (resid  44 and name CA) (resid  44 and name  C) 1.0   -73.13    10 2

! 30. L 45 Phi -61.63 +/- 8.37 (-69.99 to -53.26)

assign (resid  44 and name  C) (resid  45 and name  N) 
       (resid  45 and name CA) (resid  45 and name  C) 1.0   -61.63     10 2

! 31. I 46 Phi -62.91 +/- 6.11 (-69.01 to -56.80)

assign (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0   -62.91     20 2

! 32. E 47 Phi -63.17 +/- 9.71 (-72.88 to -53.47)

assign (resid  46 and name  C) (resid  47 and name  N) 
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -63.17     20 2

! 33. R 48 Phi -86.97 +/- 22.27 (-109.24 to -64.70)

assign (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (resid  48 and name  C) 1.0   -86.97    20 2

! 34. E 59 Phi -63.46 +/- 9.04 (-72.50 to -54.42)

assign (resid  58 and name  C) (resid  59 and name  N) 
       (resid  59 and name CA) (resid  59 and name  C) 1.0   -63.46     20 2

! 35. I 60 Phi -68.42 +/- 21.24 (-89.66 to -47.19)

assign (resid  59 and name  C) (resid  60 and name  N) 
       (resid  60 and name CA) (resid  60 and name  C) 1.0   -68.42    10 2

! 36. S 61 Phi -75.00 +/- 35.53 (-110.53 to -39.47)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0   -75.00    10 2

! 37. A 62 Phi -76.73 +/- 33.24 (-109.97 to -43.50)

assign (resid  61 and name  C) (resid  62 and name  N) 
       (resid  62 and name CA) (resid  62 and name  C) 1.0   -76.73    10 2

! 38. L 63 Phi -77.75 +/- 32.86 (-110.61 to -44.88)

assign (resid  62 and name  C) (resid  63 and name  N) 
       (resid  63 and name CA) (resid  63 and name  C) 1.0   -77.75    10 2

! 39. V 64 Phi -60.23 +/- 28.02 (-88.24 to -32.21)

assign (resid  63 and name  C) (resid  64 and name  N) 
       (resid  64 and name CA) (resid  64 and name  C) 1.0   -60.23    10 2

! 40. E 65 Phi -71.87 +/- 23.65 (-95.51 to -48.22)

assign (resid  64 and name  C) (resid  65 and name  N) 
       (resid  65 and name CA) (resid  65 and name  C) 1.0   -71.87    10 2

! 41. L 66 Phi -67.21 +/- 18.49 (-85.70 to -48.72)

assign (resid  65 and name  C) (resid  66 and name  N) 
       (resid  66 and name CA) (resid  66 and name  C) 1.0   -67.21    10 2

! 42. G 67 Phi -87.22 +/- 53.30 (-140.53 to -33.92)

assign (resid  66 and name  C) (resid  67 and name  N) 
       (resid  67 and name CA) (resid  67 and name  C) 1.0   -87.22    10 2

! 43. V 68 Phi -80.00 +/- 48.28 (-128.28 to -31.72)

assign (resid  67 and name  C) (resid  68 and name  N) 
       (resid  68 and name CA) (resid  68 and name  C) 1.0   -80.00    10 2

! 44. E 69 Phi -70.20 +/- 24.57 (-94.78 to -45.63)

assign (resid  68 and name  C) (resid  69 and name  N) 
       (resid  69 and name CA) (resid  69 and name  C) 1.0   -70.20    10 2

! 45. L 70 Phi -65.67 +/- 16.18 (-81.85 to -49.48)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -65.67    10 2


! 46. V 9 Psi -43.25 +/- 13.57 (-56.82 to -29.68)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0   -43.25    10 2

! 47. A 10 Psi -32.75 +/- 28.04 (-60.80 to -4.71)

assign (resid  10 and name  N) (resid  10 and name CA) 
       (resid  10 and name  C) (resid  11 and name  N) 1.0   -32.75    10 2

! 48. L 11 Psi -41.01 +/- 21.69 (-62.70 to -19.31)

assign (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (resid  12 and name  N) 1.0   -41.01    10 2

! 49. V 12 Psi -43.37 +/- 14.67 (-58.03 to -28.70)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   -43.37    10 2

! 50. V 13 Psi -44.12 +/- 12.84 (-56.95 to -31.28)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0   -44.12    10 2

! 51. A 14 Psi -43.31 +/- 15.11 (-58.43 to -28.20)

assign (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (resid  15 and name  N) 1.0   -43.31    10 2

! 52. I 15 Psi -42.08 +/- 14.35 (-56.43 to -27.73)

assign (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (resid  16 and name  N) 1.0   -42.08    10 2

! 53. I 16 Psi -41.10 +/- 11.44 (-52.55 to -29.66)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0   -41.10    10 2

! 54. I 17 Psi -40.34 +/- 14.14 (-54.48 to -26.20)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0   -40.34    10 2

! 55. A 18 Psi -40.67 +/- 18.19 (-58.86 to -22.48)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   -40.67    10 2

! 56. I 19 Psi -41.12 +/- 21.20 (-62.32 to -19.92)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   -41.12    10 2

! 57. V 20 Psi -45.09 +/- 10.26 (-55.35 to -34.83)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   -45.09    10 2

! 58. V 21 Psi -35.30 +/- 18.89 (-54.19 to -16.41)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   -35.30    10 2

! 59. W 22 Psi -10.08 +/- 66.61 (-76.69 to 56.53)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   -10.08    10 2

! 60. S 23 Psi -23.90 +/- 57.82 (-81.72 to 33.91)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   -23.90    20 2

! 61. I 24 Psi -40.69 +/- 18.37 (-59.06 to -22.32)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   -40.69    20 2

! 62. V 25 Psi -43.12 +/- 13.49 (-56.61 to -29.63)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   -43.12    20 2

! 63. I 26 Psi -40.06 +/- 11.87 (-51.93 to -28.18)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   -40.06    20 2

! 64. I 27 Psi -43.25 +/- 21.56 (-64.81 to -21.70)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   -43.25    20 2

! 65. Q 35 Psi -48.50 +/- 14.92 (-63.42 to -33.58)

assign (resid  35 and name  N) (resid  35 and name CA) 
       (resid  35 and name  C) (resid  36 and name  N) 1.0   -48.50    10 2

! 66. R 36 Psi -41.84 +/- 6.06 (-47.90 to -35.79)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   -41.84     10 2

! 67. K 37 Psi -36.79 +/- 21.12 (-57.91 to -15.67)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0   -36.79    10 2

! 68. I 38 Psi -41.88 +/- 12.27 (-54.15 to -29.61)

assign (resid  38 and name  N) (resid  38 and name CA) 
       (resid  38 and name  C) (resid  39 and name  N) 1.0   -41.88    10 2

! 69. D 39 Psi -26.56 +/- 16.10 (-42.66 to -10.46)

assign (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (resid  40 and name  N) 1.0   -26.56    10 2

! 70. R 40 Psi -1.22 +/- 53.81 (-55.02 to 52.59)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0    -1.22    10 2

! 71. L 41 Psi -34.19 +/- 21.70 (-55.89 to -12.50)

assign (resid  41 and name  N) (resid  41 and name CA) 
       (resid  41 and name  C) (resid  42 and name  N) 1.0   -34.19    10 2

! 72. I 42 Psi -40.42 +/- 17.01 (-57.43 to -23.42)

assign (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (resid  43 and name  N) 1.0   -40.42    10 2

! 73. D 43 Psi -30.91 +/- 15.23 (-46.14 to -15.68)

assign (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (resid  44 and name  N) 1.0   -30.91    10 2

! 74. R 44 Psi -33.07 +/- 34.16 (-67.23 to 1.09)

assign (resid  44 and name  N) (resid  44 and name CA) 
       (resid  44 and name  C) (resid  45 and name  N) 1.0   -33.07    10 2

! 75. L 45 Psi -43.62 +/- 8.31 (-51.92 to -35.31)

assign (resid  45 and name  N) (resid  45 and name CA) 
       (resid  45 and name  C) (resid  46 and name  N) 1.0   -43.62     10 2

! 76. I 46 Psi -41.29 +/- 9.82 (-51.11 to -31.47)

assign (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   -41.29     20 2

! 77. E 47 Psi -36.55 +/- 13.76 (-50.30 to -22.79)

assign (resid  47 and name  N) (resid  47 and name CA) 
       (resid  47 and name  C) (resid  48 and name  N) 1.0   -36.55    20 2

! 78. R 48 Psi -12.67 +/- 16.37 (-29.04 to 3.70)

assign (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (resid  49 and name  N) 1.0   -12.67    20 2

! 79. E 59 Psi -40.49 +/- 9.34 (-49.83 to -31.16)

assign (resid  59 and name  N) (resid  59 and name CA) 
       (resid  59 and name  C) (resid  60 and name  N) 1.0   -40.49     20 2

! 80. I 60 Psi -31.29 +/- 26.57 (-57.87 to -4.72)

assign (resid  60 and name  N) (resid  60 and name CA) 
       (resid  60 and name  C) (resid  61 and name  N) 1.0   -31.29    10 2

! 81. S 61 Psi -18.34 +/- 35.48 (-53.82 to 17.14)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0   -18.34    10 2

! 82. A 62 Psi -25.87 +/- 28.44 (-54.30 to 2.57)

assign (resid  62 and name  N) (resid  62 and name CA) 
       (resid  62 and name  C) (resid  63 and name  N) 1.0   -25.87    10 2

! 83. L 63 Psi -29.81 +/- 36.37 (-66.18 to 6.56)

assign (resid  63 and name  N) (resid  63 and name CA) 
       (resid  63 and name  C) (resid  64 and name  N) 1.0   -29.81    10 2

! 84. V 64 Psi -44.07 +/- 7.28 (-51.35 to -36.79)

assign (resid  64 and name  N) (resid  64 and name CA) 
       (resid  64 and name  C) (resid  65 and name  N) 1.0   -44.07     10 2

! 85. E 65 Psi -25.10 +/- 63.25 (-88.34 to 38.15)

assign (resid  65 and name  N) (resid  65 and name CA) 
       (resid  65 and name  C) (resid  66 and name  N) 1.0   -25.10    10 2

! 86. L 66 Psi -33.85 +/- 25.49 (-59.34 to -8.35)

assign (resid  66 and name  N) (resid  66 and name CA) 
       (resid  66 and name  C) (resid  67 and name  N) 1.0   -33.85    10 2

! 87. G 67 Psi -33.38 +/- 37.39 (-70.76 to 4.01)

assign (resid  67 and name  N) (resid  67 and name CA) 
       (resid  67 and name  C) (resid  68 and name  N) 1.0   -33.38    10 2

! 88. V 68 Psi -46.21 +/- 21.56 (-67.77 to -24.65)

assign (resid  68 and name  N) (resid  68 and name CA) 
       (resid  68 and name  C) (resid  69 and name  N) 1.0   -46.21    10 2

! 89. E 69 Psi -40.14 +/- 17.92 (-58.06 to -22.21)

assign (resid  69 and name  N) (resid  69 and name CA) 
       (resid  69 and name  C) (resid  70 and name  N) 1.0   -40.14    10 2

! 90. L 70 Psi -41.09 +/- 17.17 (-58.27 to -23.92)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   -41.09    10 2

REMARK Dipolar Coupling Table for Vpu NH useSign = False

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 26     and name N   )
       ( resid 26     and name HN  )    8.362  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 27     and name N   )
       ( resid 27     and name HN  )    8.598  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 35     and name N   )
       ( resid 35     and name HN  )    -7.598  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 37     and name N   )
       ( resid 37     and name HN  )    -7.834  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 40     and name N   )
       ( resid 40     and name HN  )    -7.774  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 41     and name N   )
       ( resid 41     and name HN  )    -9.156  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 42     and name N   )
       ( resid 42     and name HN  )    -8.538  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 43     and name N   )
       ( resid 43     and name HN  )    -6.304  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 44     and name N   )
       ( resid 44     and name HN  )    -8.068  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 45     and name N   )
       ( resid 45     and name HN  )    -8.628  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 46     and name N   )
       ( resid 46     and name HN  )    -8.893.00 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 47     and name N   )
       ( resid 47     and name HN  )    -8.04  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 48     and name N   )
       ( resid 48     and name HN  )    -6.716  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 49     and name N   )
       ( resid 49     and name HN  )    -8.656  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 60     and name N   )
       ( resid 60     and name HN  )    -7.392  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 61     and name N   )
       ( resid 61     and name HN  )    -8.568  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 62     and name N   )
       ( resid 62     and name HN  )    -5.864  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 64     and name N   )
       ( resid 64     and name HN  )    -8.628  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 65     and name N   )
       ( resid 65     and name HN  )    -5.276  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 66     and name N   )
       ( resid 66     and name HN  )    -8.04  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 68     and name N   )
       ( resid 68     and name HN  )    -6.452  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 69     and name N   )
       ( resid 69     and name HN  )    -7.216  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 70     and name N   )
       ( resid 70     and name HN  )    -9.156  3.00

REMARK Dipolar Coupling Table for Vpu CH useSign = True

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 9     and name CA   )
       ( resid 9     and name HA  )     -18.1 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 10     and name CA   )
       ( resid 10     and name HA  )     -15.156  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 11     and name CA   )
       ( resid 11     and name HA  )     17.714  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 12     and name CA   )
       ( resid 12     and name HA  )    6.928 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 13     and name CA   )
       ( resid 13     and name HA  )    -12.91 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 14     and name CA   )
       ( resid 14     and name HA  )    -14.536  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 16     and name CA   )
       ( resid 16     and name HA  )    -18.644 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 17     and name CA   )
       ( resid 17     and name HA  )    -16.396  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 18     and name CA   )
       ( resid 18     and name HA  )    5.858 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 19     and name CA   )
       ( resid 19     and name HA  )    18.334 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 20     and name CA   )
       ( resid 20     and name HA  )    -17.094 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 21     and name CA   )
       ( resid 21     and name HA  )    -14.576  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 22     and name CA   )
       ( resid 22     and name HA  )    15.312  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 23     and name CA   )
       ( resid 23     and name HA  )    -15.02  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 24     and name CA   )
       ( resid 24     and name HA  )    -14.924  3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 25     and name CA   )
       ( resid 25     and name HA  )    16.862 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 36     and name CA   )
       ( resid 36     and name HA  )    15.312 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 38     and name CA   )
       ( resid 38     and name HA  )    -19.574 3.00

!assign ( resid 500    and name OO  )
!       ( resid 500    and name Z   )
!       ( resid 500    and name X   )
!       ( resid 500    and name Y   )
!       ( resid 40     and name CA   )
!       ( resid 40     and name HA  )    -14.846 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 41     and name CA   )
       ( resid 41     and name HA  )    -2.448 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 43     and name CA   )
       ( resid 43     and name HA  )    -13.528 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 44     and name CA   )
       ( resid 44     and name HA  )    18.566 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 45     and name CA   )
       ( resid 45     and name HA  )    -16.552 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 46     and name CA   )
       ( resid 46     and name HA  )    15.388 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 47     and name CA   )
       ( resid 47     and name HA  )    -7.252 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 48     and name CA   )
       ( resid 48     and name HA  )    9.19 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 49     and name CA   )
       ( resid 49     and name HA  )    4.076 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 60     and name CA   )
       ( resid 60     and name HA  )    -16.164 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 61     and name CA   )
       ( resid 61     and name HA  )    15.776 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 62     and name CA   )
       ( resid 62     and name HA  )    3.378 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 63     and name CA   )
       ( resid 63     and name HA  )    16.008 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 64     and name CA   )
       ( resid 64     and name HA  )    17.79 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 66     and name CA   )
       ( resid 66     and name HA  )    13.916 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 69     and name CA   )
       ( resid 69     and name HA  )    -18.178 3.00

assign ( resid 500    and name OO  )
       ( resid 500    and name Z   )
       ( resid 500    and name X   )
       ( resid 500    and name Y   )
       ( resid 70     and name CA   )
       ( resid 70     and name HA  )    13.374 3.00

set echo=false end
set wrnlev=0 end
! CaH(i)-NH(j) long range
! A
assign (resid    49 and  name HA   )(resid   41 and  name OS1   ) 23.15 3 3
assign (resid    10 and  name HA   )(resid   41 and  name OS1   ) 26.0 4 4
assign (resid    14 and  name HA   )(resid   41 and  name OS1   ) 24.5 4 4
assign (resid    18 and  name HA   )(resid   41 and  name OS1   ) 21.6 4 4
assign (resid    74 and  name HA   )(resid   41 and  name OS1   ) 20.3 3 3
! S
assign (resid    56 and  name HA   )(resid   41 and  name OS1   ) 18.9 3 3
assign (resid    61 and  name HA   )(resid   41 and  name OS1   ) 17.7 3 3
assign (resid    52 and  name HA   )(resid   41 and  name OS1   ) 20.1 3 3
assign (resid    23 and  name HA   )(resid   41 and  name OS1   ) 14.9 3 3
! G
assign (resid    53 and  name HA#   )(resid   41 and  name OS1   ) 19.0 4 4
assign (resid    71 and  name HA#   )(resid   41 and  name OS1   ) 22.6 4 4
assign (resid    58 and  name HA#   )(resid   41 and  name OS1   ) 18.0 4 4
! Y
assign (resid    29 and  name HA   )(resid   41 and  name OS1   ) 20 3 3 
! R
assign (resid    30 and  name HA   )(resid   41 and  name OS1   ) 20 4 4
! K
assign (resid    31 and  name HA   )(resid   41 and  name OS1   ) 20 3 3
! V
assign (resid    78 and  name HA   )(resid   41 and  name OS1   ) 18.8 3 3
set echo=true end
set wrnlev=5 end
!! FXYD2b Plane Distance Restraints derived from Mn PRE broadening data
!! PlaneDist restraint table format:
!! ASSIgn     

! V
assign (resid   64  and name HG#  )   2.5 2.5   2
assign (resid   68  and name HG#  )   3 3   2
assign (resid   78  and name HG#  )   3 3   2
! A
assign (resid   74  and name HA   )   9 5   5
assign (resid   7   and name HA   )   -20 15   5
! G
!assign (resid   71  and name HA#  )   0 4   4
!assign (resid   58  and name HA#  )   0 4   4
!assign (resid   53  and name HA#  )   0 4   4
! S
assign (resid   56  and name HA  )   1 3   3
assign (resid   52  and name HA  )   0 3   3
assign (resid   61  and name HA  )   3 2   2
! I
!assign (resid   4   and name HB   )   0 3   4.0
!assign (resid   4   and name HG#  )   -30 4   4.0
!assign (resid   4   and name HA  )   0 3   4.0
! P
!!assign (resid   75   and name HD#  )   0 4   4
!assign (resid   3   and name HA  )   0 1   10.0
!assign (resid   3   and name HB#  )   0 1   10.0
!assign (resid   3   and name HG#  )   0 1   10.0
!assign (resid   3   and name HD#  )   0 1   10.0
! Y
!!assign (resid   29   and name HB#  )   3 3   4
! L
!assign (resid   81   and name HA  )   2 2   10.0
!assign (resid   81   and name HB#  )   2 2   10.0
!assign (resid   81   and name HD#  )   2 2   10.0
assign (resid   81   and name HG  )   2.5 4   4
! K
!!assign (resid   31   and name HD#  )   0 3   3
! W
assign (resid   76   and name HB#  )   5.5 5.5 4
! R
!assign (resid   30   and name HG#  )   1 4.0   4.0



  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           HT1      MET   1  32.243  21.532  15.561
    2    H2   MET   1           HT2      MET   1  33.036  20.173  14.918
    3    H3   MET   1           HT3      MET   1  31.407  20.065  15.391
    4    HA   MET   1           HA       MET   1  31.029  21.922  13.664
    5    HB2  MET   1           HB2      MET   1  33.477  20.599  12.483
    6    HB3  MET   1           HB1      MET   1  32.622  22.028  11.902
    7    HG2  MET   1           HG2      MET   1  34.182  21.834  14.498
    8    HG3  MET   1           HG1      MET   1  34.706  22.674  13.039
    9    HE1  MET   1           HE1      MET   1  34.423  23.812  16.026
   10    HE2  MET   1           HE2      MET   1  33.848  25.443  15.690
   11    HE3  MET   1           HE3      MET   1  35.102  24.733  14.677
   12    H    GLN   2           HN       GLN   2  30.771  18.994  14.693
   13    HA   GLN   2           HA       GLN   2  30.465  17.379  12.364
   14    HB2  GLN   2           HB2      GLN   2  29.370  17.101  15.176
   15    HB3  GLN   2           HB1      GLN   2  29.224  15.857  13.939
   16    HG2  GLN   2           HG2      GLN   2  31.840  17.001  14.961
   17    HG3  GLN   2           HG1      GLN   2  31.158  15.449  15.441
   18   HE21  GLN   2          HE21      GLN   2  33.508  16.639  13.498
   19   HE22  GLN   2          HE22      GLN   2  33.472  15.497  12.243
   20    HA   PRO   3           HA       PRO   3  26.489  18.837  11.030
   21    HB2  PRO   3           HB2      PRO   3  25.491  16.633   9.763
   22    HB3  PRO   3           HB1      PRO   3  26.835  17.588   9.103
   23    HG2  PRO   3           HG2      PRO   3  26.925  15.033  10.659
   24    HG3  PRO   3           HG1      PRO   3  27.814  15.485   9.191
   25    HD2  PRO   3           HD2      PRO   3  28.956  15.615  11.653
   26    HD3  PRO   3           HD1      PRO   3  29.373  16.764  10.364
   27    H    ILE   4           HN       ILE   4  24.267  18.774  11.554
   28    HA   ILE   4           HA       ILE   4  23.335  16.706  13.431
   29    HB   ILE   4           HB       ILE   4  24.264  18.592  14.778
   30   HG12  ILE   4          HG12      ILE   4  21.240  18.485  14.930
   31   HG13  ILE   4          HG11      ILE   4  22.269  17.157  15.468
   32   HG21  ILE   4          HG21      ILE   4  21.982  20.210  13.625
   33   HG22  ILE   4          HG22      ILE   4  23.628  20.320  13.003
   34   HG23  ILE   4          HG23      ILE   4  23.286  20.769  14.674
   35   HD11  ILE   4          HD11      ILE   4  22.283  19.999  16.521
   36   HD12  ILE   4          HD12      ILE   4  23.459  18.768  16.979
   37   HD13  ILE   4          HD13      ILE   4  21.756  18.555  17.387
   38    H    GLN   5           HN       GLN   5  21.135  16.366  13.396
   39    HA   GLN   5           HA       GLN   5  19.407  18.124  11.823
   40    HB2  GLN   5           HB2      GLN   5  18.628  16.296  10.377
   41    HB3  GLN   5           HB1      GLN   5  20.349  16.594  10.139
   42    HG2  GLN   5           HG2      GLN   5  20.850  14.733  11.726
   43    HG3  GLN   5           HG1      GLN   5  19.123  14.398  11.834
   44   HE21  GLN   5          HE21      GLN   5  21.852  13.337  10.280
   45   HE22  GLN   5          HE22      GLN   5  21.149  12.734   8.858
   46    H    ILE   6           HN       ILE   6  17.140  17.596  12.067
   47    HA   ILE   6           HA       ILE   6  16.435  16.956  14.716
   48    HB   ILE   6           HB       ILE   6  14.779  17.090  12.186
   49   HG12  ILE   6          HG12      ILE   6  14.954  19.001  14.530
   50   HG13  ILE   6          HG11      ILE   6  15.947  19.166  13.082
   51   HG21  ILE   6          HG21      ILE   6  13.978  16.704  15.079
   52   HG22  ILE   6          HG22      ILE   6  13.520  15.721  13.690
   53   HG23  ILE   6          HG23      ILE   6  12.868  17.349  13.870
   54   HD11  ILE   6          HD11      ILE   6  12.915  19.167  13.182
   55   HD12  ILE   6          HD12      ILE   6  13.876  19.244  11.704
   56   HD13  ILE   6          HD13      ILE   6  13.948  20.564  12.872
   57    H    ALA   7           HN       ALA   7  16.205  15.046  11.717
   58    HA   ALA   7           HA       ALA   7  16.448  12.584  13.237
   59    HB1  ALA   7           HB1      ALA   7  13.994  13.156  13.307
   60    HB2  ALA   7           HB2      ALA   7  14.366  11.607  12.551
   61    HB3  ALA   7           HB3      ALA   7  13.975  13.005  11.550
   62    H    ILE   8           HN       ILE   8  16.839  10.744  11.906
   63    HA   ILE   8           HA       ILE   8  18.005  11.445   9.303
   64    HB   ILE   8           HB       ILE   8  19.046   9.206   9.445
   65   HG12  ILE   8          HG12      ILE   8  17.748   9.053  12.184
   66   HG13  ILE   8          HG11      ILE   8  17.169   8.162  10.778
   67   HG21  ILE   8          HG21      ILE   8  19.349  10.833  11.986
   68   HG22  ILE   8          HG22      ILE   8  20.130  11.209  10.450
   69   HG23  ILE   8          HG23      ILE   8  20.542   9.724  11.308
   70   HD11  ILE   8          HD11      ILE   8  19.398   7.094  10.557
   71   HD12  ILE   8          HD12      ILE   8  18.644   6.734  12.110
   72   HD13  ILE   8          HD13      ILE   8  19.928   7.940  12.011
   73    H    VAL   9           HN       VAL   9  15.063  10.558  10.367
   74    HA   VAL   9           HA       VAL   9  14.299   8.360   8.810
   75    HB   VAL   9           HB       VAL   9  12.725  10.722   9.846
   76   HG11  VAL   9          HG11      VAL   9  11.826   8.208   8.425
   77   HG12  VAL   9          HG12      VAL   9  11.423   9.880   8.031
   78   HG13  VAL   9          HG13      VAL   9  10.753   9.128   9.479
   79   HG21  VAL   9          HG21      VAL   9  13.841   9.082  11.445
   80   HG22  VAL   9          HG22      VAL   9  12.781   7.841  10.774
   81   HG23  VAL   9          HG23      VAL   9  12.092   9.231  11.614
   82    H    ALA  10           HN       ALA  10  14.314  11.838   8.056
   83    HA   ALA  10           HA       ALA  10  12.959  11.694   5.628
   84    HB1  ALA  10           HB1      ALA  10  14.272  13.822   5.077
   85    HB2  ALA  10           HB2      ALA  10  15.055  13.613   6.643
   86    HB3  ALA  10           HB3      ALA  10  13.309  13.848   6.554
   87    H    LEU  11           HN       LEU  11  16.341  11.259   6.443
   88    HA   LEU  11           HA       LEU  11  17.440  11.122   3.829
   89    HB2  LEU  11           HB2      LEU  11  18.838  11.391   5.832
   90    HB3  LEU  11           HB1      LEU  11  18.363   9.789   6.388
   91    HG   LEU  11           HG       LEU  11  19.397   8.781   4.377
   92   HD11  LEU  11          HD11      LEU  11  20.988  10.459   3.116
   93   HD12  LEU  11          HD12      LEU  11  19.856  11.680   3.695
   94   HD13  LEU  11          HD13      LEU  11  19.289  10.369   2.659
   95   HD21  LEU  11          HD21      LEU  11  20.680   9.260   6.523
   96   HD22  LEU  11          HD22      LEU  11  21.344  10.677   5.710
   97   HD23  LEU  11          HD23      LEU  11  21.672   9.063   5.078
   98    H    VAL  12           HN       VAL  12  16.235   8.604   6.024
   99    HA   VAL  12           HA       VAL  12  16.760   6.423   4.316
  100    HB   VAL  12           HB       VAL  12  14.656   6.780   6.468
  101   HG11  VAL  12          HG11      VAL  12  14.616   4.225   6.386
  102   HG12  VAL  12          HG12      VAL  12  15.415   4.360   4.820
  103   HG13  VAL  12          HG13      VAL  12  13.808   5.050   5.053
  104   HG21  VAL  12          HG21      VAL  12  17.364   5.421   6.357
  105   HG22  VAL  12          HG22      VAL  12  16.233   5.242   7.698
  106   HG23  VAL  12          HG23      VAL  12  16.918   6.824   7.328
  107    H    VAL  13           HN       VAL  13  13.884   8.484   4.624
  108    HA   VAL  13           HA       VAL  13  12.221   7.162   2.833
  109    HB   VAL  13           HB       VAL  13  12.511  10.106   3.452
  110   HG11  VAL  13          HG11      VAL  13  10.127  10.183   2.519
  111   HG12  VAL  13          HG12      VAL  13  10.475   8.621   1.777
  112   HG13  VAL  13          HG13      VAL  13  11.421  10.042   1.329
  113   HG21  VAL  13          HG21      VAL  13  10.365   8.138   4.280
  114   HG22  VAL  13          HG22      VAL  13  10.690   9.734   4.957
  115   HG23  VAL  13          HG23      VAL  13  11.819   8.410   5.240
  116    H    ALA  14           HN       ALA  14  14.674   9.608   2.378
  117    HA   ALA  14           HA       ALA  14  14.404  10.127  -0.361
  118    HB1  ALA  14           HB1      ALA  14  16.546  11.163  -0.262
  119    HB2  ALA  14           HB2      ALA  14  17.049  10.156   1.096
  120    HB3  ALA  14           HB3      ALA  14  15.822  11.401   1.327
  121    H    ILE  15           HN       ILE  15  16.261   7.652   1.348
  122    HA   ILE  15           HA       ILE  15  17.656   6.621  -0.891
  123    HB   ILE  15           HB       ILE  15  16.853   5.324   1.720
  124   HG12  ILE  15          HG12      ILE  15  18.384   7.227   1.975
  125   HG13  ILE  15          HG11      ILE  15  19.219   5.722   2.327
  126   HG21  ILE  15          HG21      ILE  15  18.606   4.340  -0.534
  127   HG22  ILE  15          HG22      ILE  15  17.247   3.517   0.232
  128   HG23  ILE  15          HG23      ILE  15  18.760   3.728   1.113
  129   HD11  ILE  15          HD11      ILE  15  19.844   5.888  -0.277
  130   HD12  ILE  15          HD12      ILE  15  20.786   6.721   0.954
  131   HD13  ILE  15          HD13      ILE  15  19.574   7.602   0.029
  132    H    ILE  16           HN       ILE  16  14.506   5.790   0.534
  133    HA   ILE  16           HA       ILE  16  13.989   3.454  -0.915
  134    HB   ILE  16           HB       ILE  16  12.081   5.584   0.056
  135   HG12  ILE  16          HG12      ILE  16  13.432   4.599   1.852
  136   HG13  ILE  16          HG11      ILE  16  11.768   4.041   1.971
  137   HG21  ILE  16          HG21      ILE  16  10.466   3.588   0.042
  138   HG22  ILE  16          HG22      ILE  16  11.630   2.803  -1.025
  139   HG23  ILE  16          HG23      ILE  16  10.858   4.310  -1.519
  140   HD11  ILE  16          HD11      ILE  16  14.233   2.519   1.217
  141   HD12  ILE  16          HD12      ILE  16  12.707   2.022   0.492
  142   HD13  ILE  16          HD13      ILE  16  12.887   2.033   2.243
  143    H    ILE  17           HN       ILE  17  13.001   6.800  -1.669
  144    HA   ILE  17           HA       ILE  17  11.751   6.217  -4.102
  145    HB   ILE  17           HB       ILE  17  12.056   8.636  -4.636
  146   HG12  ILE  17          HG12      ILE  17  13.473   8.739  -1.968
  147   HG13  ILE  17          HG11      ILE  17  14.332   8.765  -3.508
  148   HG21  ILE  17          HG21      ILE  17  10.170   7.897  -3.266
  149   HG22  ILE  17          HG22      ILE  17  10.776   9.435  -2.653
  150   HG23  ILE  17          HG23      ILE  17  11.178   7.935  -1.818
  151   HD11  ILE  17          HD11      ILE  17  13.001  10.771  -4.168
  152   HD12  ILE  17          HD12      ILE  17  13.991  11.057  -2.737
  153   HD13  ILE  17          HD13      ILE  17  12.259  10.769  -2.568
  154    H    ALA  18           HN       ALA  18  15.099   6.681  -3.322
  155    HA   ALA  18           HA       ALA  18  16.102   7.126  -5.954
  156    HB1  ALA  18           HB1      ALA  18  17.396   7.341  -3.751
  157    HB2  ALA  18           HB2      ALA  18  18.253   6.580  -5.091
  158    HB3  ALA  18           HB3      ALA  18  17.568   5.587  -3.805
  159    H    ILE  19           HN       ILE  19  15.770   4.212  -4.003
  160    HA   ILE  19           HA       ILE  19  16.543   2.349  -5.968
  161    HB   ILE  19           HB       ILE  19  14.698   2.014  -3.592
  162   HG12  ILE  19          HG12      ILE  19  16.967   2.718  -2.977
  163   HG13  ILE  19          HG11      ILE  19  16.707   1.042  -2.513
  164   HG21  ILE  19          HG21      ILE  19  15.928   0.001  -5.475
  165   HG22  ILE  19          HG22      ILE  19  14.233   0.177  -5.019
  166   HG23  ILE  19          HG23      ILE  19  15.402  -0.435  -3.849
  167   HD11  ILE  19          HD11      ILE  19  18.471   2.171  -4.650
  168   HD12  ILE  19          HD12      ILE  19  17.766   0.582  -4.930
  169   HD13  ILE  19          HD13      ILE  19  18.782   0.858  -3.520
  170    H    VAL  20           HN       VAL  20  13.318   3.584  -5.119
  171    HA   VAL  20           HA       VAL  20  11.899   1.929  -6.963
  172    HB   VAL  20           HB       VAL  20  11.210   4.598  -5.712
  173   HG11  VAL  20          HG11      VAL  20   9.601   2.753  -7.490
  174   HG12  VAL  20          HG12      VAL  20   9.903   4.476  -7.710
  175   HG13  VAL  20          HG13      VAL  20   8.845   3.925  -6.412
  176   HG21  VAL  20          HG21      VAL  20  10.305   1.756  -5.154
  177   HG22  VAL  20          HG22      VAL  20   9.725   3.195  -4.315
  178   HG23  VAL  20          HG23      VAL  20  11.410   2.698  -4.154
  179    H    VAL  21           HN       VAL  21  13.100   5.241  -7.116
  180    HA   VAL  21           HA       VAL  21  12.314   5.828  -9.787
  181    HB   VAL  21           HB       VAL  21  14.491   6.967  -8.023
  182   HG11  VAL  21          HG11      VAL  21  13.545   7.757 -10.787
  183   HG12  VAL  21          HG12      VAL  21  15.196   7.443 -10.254
  184   HG13  VAL  21          HG13      VAL  21  14.354   8.893  -9.709
  185   HG21  VAL  21          HG21      VAL  21  11.917   8.281  -8.910
  186   HG22  VAL  21          HG22      VAL  21  12.938   8.679  -7.528
  187   HG23  VAL  21          HG23      VAL  21  11.948   7.221  -7.502
  188    H    TRP  22           HN       TRP  22  15.444   4.503  -8.560
  189    HA   TRP  22           HA       TRP  22  16.452   4.487 -11.240
  190    HB2  TRP  22           HB2      TRP  22  17.810   4.696  -9.069
  191    HB3  TRP  22           HB1      TRP  22  17.633   2.948  -8.925
  192    HD1  TRP  22           HD1      TRP  22  19.313   1.520 -10.203
  193    HE1  TRP  22           HE1      TRP  22  21.077   1.951 -12.032
  194    HE3  TRP  22           HE3      TRP  22  18.269   6.396 -11.299
  195    HZ2  TRP  22           HZ2      TRP  22  21.931   4.082 -13.737
  196    HZ3  TRP  22           HZ3      TRP  22  19.571   7.602 -13.029
  197    HH2  TRP  22           HH2      TRP  22  21.398   6.452 -14.249
  198    H    SER  23           HN       SER  23  14.413   2.419  -9.490
  199    HA   SER  23           HA       SER  23  15.188  -0.122 -10.440
  200    HB2  SER  23           HB2      SER  23  13.548   0.129  -8.630
  201    HB3  SER  23           HB1      SER  23  12.414   0.886  -9.744
  202    HG   SER  23           HG       SER  23  11.806  -1.090 -10.113
  203    H    ILE  24           HN       ILE  24  13.125   2.379 -11.871
  204    HA   ILE  24           HA       ILE  24  12.120   0.872 -14.000
  205    HB   ILE  24           HB       ILE  24  12.757   3.823 -13.793
  206   HG12  ILE  24          HG12      ILE  24  10.098   2.370 -13.763
  207   HG13  ILE  24          HG11      ILE  24  10.997   2.760 -12.296
  208   HG21  ILE  24          HG21      ILE  24  12.725   3.359 -16.140
  209   HG22  ILE  24          HG22      ILE  24  11.116   3.970 -15.750
  210   HG23  ILE  24          HG23      ILE  24  11.373   2.239 -15.970
  211   HD11  ILE  24          HD11      ILE  24  10.864   5.122 -12.749
  212   HD12  ILE  24          HD12      ILE  24   9.238   4.465 -12.938
  213   HD13  ILE  24          HD13      ILE  24  10.213   4.831 -14.362
  214    H    VAL  25           HN       VAL  25  15.055   2.759 -13.635
  215    HA   VAL  25           HA       VAL  25  16.165   2.447 -16.264
  216    HB   VAL  25           HB       VAL  25  17.456   2.928 -13.573
  217   HG11  VAL  25          HG11      VAL  25  19.161   1.992 -14.954
  218   HG12  VAL  25          HG12      VAL  25  19.374   3.740 -15.060
  219   HG13  VAL  25          HG13      VAL  25  18.588   2.866 -16.375
  220   HG21  VAL  25          HG21      VAL  25  17.040   4.834 -15.883
  221   HG22  VAL  25          HG22      VAL  25  17.487   5.225 -14.223
  222   HG23  VAL  25          HG23      VAL  25  15.859   4.653 -14.586
  223    H    ILE  26           HN       ILE  26  16.737   0.634 -13.246
  224    HA   ILE  26           HA       ILE  26  18.563  -1.183 -14.356
  225    HB   ILE  26           HB       ILE  26  16.611  -1.554 -12.074
  226   HG12  ILE  26          HG12      ILE  26  19.607  -1.104 -12.051
  227   HG13  ILE  26          HG11      ILE  26  18.439   0.212 -11.941
  228   HG21  ILE  26          HG21      ILE  26  18.265  -3.406 -11.435
  229   HG22  ILE  26          HG22      ILE  26  18.850  -3.315 -13.097
  230   HG23  ILE  26          HG23      ILE  26  17.176  -3.767 -12.776
  231   HD11  ILE  26          HD11      ILE  26  19.349  -0.771  -9.723
  232   HD12  ILE  26          HD12      ILE  26  18.304  -2.149 -10.063
  233   HD13  ILE  26          HD13      ILE  26  17.606  -0.542  -9.861
  234    H    ILE  27           HN       ILE  27  15.019  -1.690 -13.885
  235    HA   ILE  27           HA       ILE  27  15.035  -4.144 -15.313
  236    HB   ILE  27           HB       ILE  27  13.326  -3.441 -13.610
  237   HG12  ILE  27          HG12      ILE  27  12.112  -4.161 -16.292
  238   HG13  ILE  27          HG11      ILE  27  13.020  -5.311 -15.309
  239   HG21  ILE  27          HG21      ILE  27  13.094  -1.123 -14.699
  240   HG22  ILE  27          HG22      ILE  27  11.603  -1.911 -14.184
  241   HG23  ILE  27          HG23      ILE  27  12.059  -1.911 -15.888
  242   HD11  ILE  27          HD11      ILE  27  10.508  -3.831 -14.477
  243   HD12  ILE  27          HD12      ILE  27  11.451  -4.883 -13.420
  244   HD13  ILE  27          HD13      ILE  27  10.638  -5.553 -14.835
  245    H    GLU  28           HN       GLU  28  14.302  -0.810 -16.270
  246    HA   GLU  28           HA       GLU  28  14.056  -1.730 -19.087
  247    HB2  GLU  28           HB2      GLU  28  11.973  -0.744 -18.161
  248    HB3  GLU  28           HB1      GLU  28  12.852   0.741 -17.808
  249    HG2  GLU  28           HG2      GLU  28  11.666   0.986 -19.921
  250    HG3  GLU  28           HG1      GLU  28  13.398   0.963 -20.230
  251    H    TYR  29           HN       TYR  29  15.410  -0.898 -20.557
  252    HA   TYR  29           HA       TYR  29  17.654   0.657 -19.664
  253    HB2  TYR  29           HB2      TYR  29  16.815  -0.357 -22.384
  254    HB3  TYR  29           HB1      TYR  29  18.306   0.542 -22.097
  255    HD1  TYR  29           HD1      TYR  29  20.125  -0.411 -20.759
  256    HD2  TYR  29           HD2      TYR  29  16.522  -2.621 -21.526
  257    HE1  TYR  29           HE1      TYR  29  21.241  -2.493 -20.000
  258    HE2  TYR  29           HE2      TYR  29  17.638  -4.703 -20.767
  259    HH   TYR  29           HH       TYR  29  19.908  -5.589 -20.531
  260    H    ARG  30           HN       ARG  30  18.186   2.733 -20.133
  261    HA   ARG  30           HA       ARG  30  16.133   4.641 -20.427
  262    HB2  ARG  30           HB2      ARG  30  18.260   5.119 -19.290
  263    HB3  ARG  30           HB1      ARG  30  19.113   4.981 -20.827
  264    HG2  ARG  30           HG2      ARG  30  17.910   6.875 -21.738
  265    HG3  ARG  30           HG1      ARG  30  16.865   6.948 -20.318
  266    HD2  ARG  30           HD2      ARG  30  19.871   7.299 -20.220
  267    HD3  ARG  30           HD1      ARG  30  18.731   8.637 -20.305
  268    HE   ARG  30           HE       ARG  30  17.962   7.017 -18.154
  269   HH11  ARG  30          HH21      ARG  30  20.621   8.985 -19.170
  270   HH12  ARG  30          HH22      ARG  30  21.088   9.427 -17.562
  271   HH21  ARG  30          HH11      ARG  30  18.567   7.592 -16.043
  272   HH22  ARG  30          HH12      ARG  30  19.926   8.638 -15.791
  273    H    LYS  31           HN       LYS  31  18.390   3.234 -22.748
  274    HA   LYS  31           HA       LYS  31  17.978   4.996 -24.882
  275    HB2  LYS  31           HB2      LYS  31  18.674   2.064 -24.820
  276    HB3  LYS  31           HB1      LYS  31  18.663   3.013 -26.306
  277    HG2  LYS  31           HG2      LYS  31  20.257   4.625 -25.200
  278    HG3  LYS  31           HG1      LYS  31  20.369   3.503 -23.847
  279    HD2  LYS  31           HD2      LYS  31  20.975   2.693 -26.700
  280    HD3  LYS  31           HD1      LYS  31  22.208   3.303 -25.599
  281    HE2  LYS  31           HE2      LYS  31  21.556   1.470 -23.985
  282    HE3  LYS  31           HE1      LYS  31  20.525   0.806 -25.252
  283    HZ1  LYS  31           HZ1      LYS  31  23.321   1.410 -25.884
  284    HZ2  LYS  31           HZ2      LYS  31  22.294   0.223 -26.537
  285    HZ3  LYS  31           HZ3      LYS  31  22.972   0.009 -24.993
  286    H    ILE  32           HN       ILE  32  16.129   2.114 -23.917
  287    HA   ILE  32           HA       ILE  32  13.973   2.994 -25.752
  288    HB   ILE  32           HB       ILE  32  15.208   1.110 -26.791
  289   HG12  ILE  32          HG12      ILE  32  12.492   0.210 -25.798
  290   HG13  ILE  32          HG11      ILE  32  12.695   1.477 -27.010
  291   HG21  ILE  32          HG21      ILE  32  15.760   0.121 -24.438
  292   HG22  ILE  32          HG22      ILE  32  15.437  -0.990 -25.767
  293   HG23  ILE  32          HG23      ILE  32  14.184  -0.659 -24.573
  294   HD11  ILE  32          HD11      ILE  32  13.670  -1.386 -27.224
  295   HD12  ILE  32          HD12      ILE  32  14.004  -0.122 -28.408
  296   HD13  ILE  32          HD13      ILE  32  12.347  -0.660 -28.136
  297    H    LEU  33           HN       LEU  33  12.213   3.398 -24.615
  298    HA   LEU  33           HA       LEU  33  11.891   2.666 -21.893
  299    HB2  LEU  33           HB2      LEU  33   9.951   3.743 -23.944
  300    HB3  LEU  33           HB1      LEU  33   9.533   3.509 -22.250
  301    HG   LEU  33           HG       LEU  33  11.877   5.192 -23.188
  302   HD11  LEU  33          HD11      LEU  33  10.404   7.134 -22.642
  303   HD12  LEU  33          HD12      LEU  33   9.062   6.014 -22.412
  304   HD13  LEU  33          HD13      LEU  33   9.805   6.185 -24.002
  305   HD21  LEU  33          HD21      LEU  33  10.617   4.581 -20.516
  306   HD22  LEU  33          HD22      LEU  33  11.347   6.165 -20.769
  307   HD23  LEU  33          HD23      LEU  33  12.323   4.713 -20.941
  308    H    ARG  34           HN       ARG  34  10.537   1.366 -24.902
  309    HA   ARG  34           HA       ARG  34   9.487  -0.627 -25.361
  310    HB2  ARG  34           HB2      ARG  34  11.547  -1.410 -24.006
  311    HB3  ARG  34           HB1      ARG  34  10.413  -1.642 -22.677
  312    HG2  ARG  34           HG2      ARG  34   9.015  -3.053 -24.262
  313    HG3  ARG  34           HG1      ARG  34  10.361  -2.970 -25.397
  314    HD2  ARG  34           HD2      ARG  34  10.615  -5.007 -24.140
  315    HD3  ARG  34           HD1      ARG  34  11.846  -3.880 -23.575
  316    HE   ARG  34           HE       ARG  34   9.473  -3.673 -22.000
  317   HH11  ARG  34          HH21      ARG  34  12.262  -5.626 -22.618
  318   HH12  ARG  34          HH22      ARG  34  12.322  -6.289 -21.019
  319   HH21  ARG  34          HH11      ARG  34   9.546  -4.537 -19.902
  320   HH22  ARG  34          HH12      ARG  34  10.785  -5.673 -19.481
  321    H    GLN  35           HN       GLN  35   8.722   1.240 -22.639
  322    HA   GLN  35           HA       GLN  35   6.652  -0.234 -21.443
  323    HB2  GLN  35           HB2      GLN  35   7.199   2.729 -21.597
  324    HB3  GLN  35           HB1      GLN  35   5.882   2.041 -20.647
  325    HG2  GLN  35           HG2      GLN  35   7.428   0.757 -19.306
  326    HG3  GLN  35           HG1      GLN  35   8.778   1.208 -20.345
  327   HE21  GLN  35          HE21      GLN  35   8.435   1.767 -17.416
  328   HE22  GLN  35          HE22      GLN  35   8.522   3.456 -17.267
  329    H    ARG  36           HN       ARG  36   6.647   2.007 -24.186
  330    HA   ARG  36           HA       ARG  36   3.882   2.310 -24.379
  331    HB2  ARG  36           HB2      ARG  36   6.030   2.430 -26.509
  332    HB3  ARG  36           HB1      ARG  36   4.346   2.855 -26.819
  333    HG2  ARG  36           HG2      ARG  36   4.413   4.623 -25.177
  334    HG3  ARG  36           HG1      ARG  36   6.011   4.116 -24.626
  335    HD2  ARG  36           HD2      ARG  36   5.417   5.060 -27.441
  336    HD3  ARG  36           HD1      ARG  36   6.054   6.100 -26.170
  337    HE   ARG  36           HE       ARG  36   7.719   3.851 -26.338
  338   HH11  ARG  36          HH21      ARG  36   6.710   6.558 -28.243
  339   HH12  ARG  36          HH22      ARG  36   8.193   6.661 -29.131
  340   HH21  ARG  36          HH11      ARG  36   9.666   3.981 -27.496
  341   HH22  ARG  36          HH12      ARG  36   9.868   5.202 -28.708
  342    H    LYS  37           HN       LYS  37   5.939  -0.324 -25.429
  343    HA   LYS  37           HA       LYS  37   4.149  -1.575 -27.216
  344    HB2  LYS  37           HB2      LYS  37   6.278  -2.719 -25.399
  345    HB3  LYS  37           HB1      LYS  37   5.385  -3.685 -26.574
  346    HG2  LYS  37           HG2      LYS  37   6.156  -2.190 -28.385
  347    HG3  LYS  37           HG1      LYS  37   7.062  -1.239 -27.209
  348    HD2  LYS  37           HD2      LYS  37   8.387  -3.244 -26.619
  349    HD3  LYS  37           HD1      LYS  37   7.499  -4.177 -27.823
  350    HE2  LYS  37           HE2      LYS  37   9.158  -1.709 -28.419
  351    HE3  LYS  37           HE1      LYS  37   9.678  -3.370 -28.701
  352    HZ1  LYS  37           HZ1      LYS  37   8.767  -3.055 -30.705
  353    HZ2  LYS  37           HZ2      LYS  37   7.823  -1.737 -30.197
  354    HZ3  LYS  37           HZ3      LYS  37   7.290  -3.326 -29.917
  355    H    ILE  38           HN       ILE  38   4.461  -1.693 -23.701
  356    HA   ILE  38           HA       ILE  38   2.572  -3.744 -23.196
  357    HB   ILE  38           HB       ILE  38   3.477  -1.406 -21.500
  358   HG12  ILE  38          HG12      ILE  38   4.139  -4.355 -21.300
  359   HG13  ILE  38          HG11      ILE  38   5.139  -3.207 -22.192
  360   HG21  ILE  38          HG21      ILE  38   1.348  -2.062 -20.628
  361   HG22  ILE  38          HG22      ILE  38   2.551  -2.868 -19.622
  362   HG23  ILE  38          HG23      ILE  38   1.700  -3.772 -20.875
  363   HD11  ILE  38          HD11      ILE  38   4.449  -3.060 -19.243
  364   HD12  ILE  38          HD12      ILE  38   5.376  -1.845 -20.123
  365   HD13  ILE  38          HD13      ILE  38   6.021  -3.475 -19.925
  366    H    ASP  39           HN       ASP  39   2.270  -0.251 -23.590
  367    HA   ASP  39           HA       ASP  39  -0.424   0.022 -22.823
  368    HB2  ASP  39           HB2      ASP  39   1.313   1.647 -24.681
  369    HB3  ASP  39           HB1      ASP  39  -0.335   2.107 -24.264
  370    H    ARG  40           HN       ARG  40   0.935  -1.481 -25.556
  371    HA   ARG  40           HA       ARG  40  -1.376  -1.053 -27.295
  372    HB2  ARG  40           HB2      ARG  40   1.014  -2.895 -27.595
  373    HB3  ARG  40           HB1      ARG  40  -0.219  -2.619 -28.823
  374    HG2  ARG  40           HG2      ARG  40   0.344  -0.210 -28.842
  375    HG3  ARG  40           HG1      ARG  40   1.601  -0.501 -27.639
  376    HD2  ARG  40           HD2      ARG  40   2.645  -0.458 -29.825
  377    HD3  ARG  40           HD1      ARG  40   2.669  -2.116 -29.231
  378    HE   ARG  40           HE       ARG  40   1.189  -2.703 -30.934
  379   HH11  ARG  40          HH21      ARG  40   1.440   0.731 -30.593
  380   HH12  ARG  40          HH22      ARG  40   0.560   1.078 -32.044
  381   HH21  ARG  40          HH11      ARG  40   0.033  -2.256 -32.839
  382   HH22  ARG  40          HH12      ARG  40  -0.236  -0.613 -33.316
  383    H    LEU  41           H        LEU  41  -0.509  -3.029 -24.727
  384    HA   LEU  41           HA       LEU  41  -1.664  -5.520 -25.290
  385    HB2  LEU  41           3HB      LEU  41  -1.582  -3.912 -22.651
  386    HB3  LEU  41           2HB      LEU  41  -2.162  -5.563 -22.737
  387    HG   LEU  41           HG       LEU  41   0.697  -4.674 -23.457
  388   HD11  LEU  41          1HD1      LEU  41   0.179  -4.370 -21.016
  389   HD12  LEU  41          2HD1      LEU  41  -0.364  -6.061 -20.898
  390   HD13  LEU  41          3HD1      LEU  41   1.338  -5.690 -21.259
  391   HD21  LEU  41          3HD2      LEU  41   1.242  -7.154 -23.320
  392   HD22  LEU  41          1HD2      LEU  41  -0.497  -7.520 -23.155
  393   HD23  LEU  41          2HD2      LEU  41   0.136  -6.780 -24.646
  394    H    ILE  42           HN       ILE  42  -3.208  -2.509 -24.307
  395    HA   ILE  42           HA       ILE  42  -5.774  -3.527 -23.804
  396    HB   ILE  42           HB       ILE  42  -4.863  -0.818 -24.795
  397   HG12  ILE  42          HG12      ILE  42  -5.863  -1.688 -22.070
  398   HG13  ILE  42          HG11      ILE  42  -4.153  -1.670 -22.504
  399   HG21  ILE  42          HG21      ILE  42  -7.161  -0.976 -25.436
  400   HG22  ILE  42          HG22      ILE  42  -7.157  -0.113 -23.899
  401   HG23  ILE  42          HG23      ILE  42  -7.591  -1.821 -23.948
  402   HD11  ILE  42          HD11      ILE  42  -4.252   0.721 -22.965
  403   HD12  ILE  42          HD12      ILE  42  -4.879   0.422 -21.344
  404   HD13  ILE  42          HD13      ILE  42  -5.992   0.735 -22.677
  405    H    ASP  43           HN       ASP  43  -4.297  -2.357 -26.826
  406    HA   ASP  43           HA       ASP  43  -6.589  -2.515 -28.434
  407    HB2  ASP  43           HB2      ASP  43  -4.484  -1.392 -29.110
  408    HB3  ASP  43           HB1      ASP  43  -3.712  -2.970 -29.261
  409    H    ARG  44           HN       ARG  44  -4.175  -4.964 -27.588
  410    HA   ARG  44           HA       ARG  44  -5.111  -6.974 -29.361
  411    HB2  ARG  44           HB2      ARG  44  -3.585  -7.146 -26.754
  412    HB3  ARG  44           HB1      ARG  44  -3.954  -8.551 -27.754
  413    HG2  ARG  44           HG2      ARG  44  -2.823  -7.400 -29.679
  414    HG3  ARG  44           HG1      ARG  44  -2.330  -6.124 -28.565
  415    HD2  ARG  44           HD2      ARG  44  -1.665  -9.056 -28.192
  416    HD3  ARG  44           HD1      ARG  44  -0.571  -7.879 -28.913
  417    HE   ARG  44           HE       ARG  44  -1.336  -6.820 -26.462
  418   HH11  ARG  44          HH21      ARG  44   0.221  -9.660 -27.681
  419   HH12  ARG  44          HH22      ARG  44   1.205  -9.891 -26.275
  420   HH21  ARG  44          HH11      ARG  44  -0.049  -7.117 -24.614
  421   HH22  ARG  44          HH12      ARG  44   1.052  -8.453 -24.538
  422    H    LEU  45           HN       LEU  45  -6.134  -6.091 -26.075
  423    HA   LEU  45           HA       LEU  45  -7.769  -8.362 -25.648
  424    HB2  LEU  45           HB2      LEU  45  -8.049  -5.502 -24.688
  425    HB3  LEU  45           HB1      LEU  45  -9.083  -6.815 -24.133
  426    HG   LEU  45           HG       LEU  45  -6.056  -6.845 -23.925
  427   HD11  LEU  45          HD11      LEU  45  -6.340  -6.251 -21.581
  428   HD12  LEU  45          HD12      LEU  45  -8.094  -6.241 -21.761
  429   HD13  LEU  45          HD13      LEU  45  -7.117  -5.021 -22.578
  430   HD21  LEU  45          HD21      LEU  45  -6.817  -8.582 -22.060
  431   HD22  LEU  45          HD22      LEU  45  -6.705  -9.086 -23.741
  432   HD23  LEU  45          HD23      LEU  45  -8.275  -8.690 -23.046
  433    H    ILE  46           HN       ILE  46  -8.387  -5.228 -27.149
  434    HA   ILE  46           HA       ILE  46 -11.109  -5.625 -27.835
  435    HB   ILE  46           HB       ILE  46  -8.950  -3.922 -29.103
  436   HG12  ILE  46          HG12      ILE  46 -11.295  -3.137 -27.353
  437   HG13  ILE  46          HG11      ILE  46  -9.689  -3.476 -26.708
  438   HG21  ILE  46          HG21      ILE  46 -10.611  -4.234 -30.795
  439   HG22  ILE  46          HG22      ILE  46 -10.987  -2.686 -30.039
  440   HG23  ILE  46          HG23      ILE  46 -11.925  -4.121 -29.624
  441   HD11  ILE  46          HD11      ILE  46 -10.209  -1.018 -27.216
  442   HD12  ILE  46          HD12      ILE  46 -10.140  -1.466 -28.920
  443   HD13  ILE  46          HD13      ILE  46  -8.715  -1.657 -27.899
  444    H    GLU  47           HN       GLU  47  -8.103  -6.296 -29.621
  445    HA   GLU  47           HA       GLU  47  -9.329  -7.179 -31.999
  446    HB2  GLU  47           HB2      GLU  47  -6.924  -6.629 -31.821
  447    HB3  GLU  47           HB1      GLU  47  -6.682  -8.054 -30.812
  448    HG2  GLU  47           HG2      GLU  47  -7.424  -9.509 -32.641
  449    HG3  GLU  47           HG1      GLU  47  -7.755  -8.101 -33.649
  450    H    ARG  48           HN       ARG  48  -8.388  -8.916 -29.056
  451    HA   ARG  48           HA       ARG  48  -9.012 -11.526 -29.991
  452    HB2  ARG  48           HB2      ARG  48  -8.876 -10.351 -27.213
  453    HB3  ARG  48           HB1      ARG  48  -9.157 -12.063 -27.530
  454    HG2  ARG  48           HG2      ARG  48  -7.038 -12.267 -28.678
  455    HG3  ARG  48           HG1      ARG  48  -6.775 -10.525 -28.601
  456    HD2  ARG  48           HD2      ARG  48  -5.476 -11.636 -26.851
  457    HD3  ARG  48           HD1      ARG  48  -6.747 -10.656 -26.123
  458    HE   ARG  48           HE       ARG  48  -7.640 -13.336 -26.534
  459   HH11  ARG  48          HH21      ARG  48  -5.630 -11.329 -24.559
  460   HH12  ARG  48          HH22      ARG  48  -5.771 -12.333 -23.155
  461   HH21  ARG  48          HH11      ARG  48  -7.829 -14.659 -24.697
  462   HH22  ARG  48          HH12      ARG  48  -7.016 -14.218 -23.233
  463    H    ALA  49           HN       ALA  49 -10.963  -9.000 -28.467
  464    HA   ALA  49           HA       ALA  49 -13.367  -9.848 -29.562
  465    HB1  ALA  49           HB1      ALA  49 -12.724 -11.120 -26.916
  466    HB2  ALA  49           HB2      ALA  49 -13.491 -11.833 -28.334
  467    HB3  ALA  49           HB3      ALA  49 -14.399 -10.727 -27.307
  468    H    GLU  50           HN       GLU  50 -15.005  -8.395 -29.140
  469    HA   GLU  50           HA       GLU  50 -14.312  -5.915 -27.963
  470    HB2  GLU  50           HB2      GLU  50 -16.034  -6.144 -29.723
  471    HB3  GLU  50           HB1      GLU  50 -17.059  -7.034 -28.600
  472    HG2  GLU  50           HG2      GLU  50 -17.759  -4.689 -28.691
  473    HG3  GLU  50           HG1      GLU  50 -17.103  -5.050 -27.099
  474    H    ASP  51           HN       ASP  51 -16.228  -8.668 -26.845
  475    HA   ASP  51           HA       ASP  51 -16.653  -7.450 -24.215
  476    HB2  ASP  51           HB2      ASP  51 -18.496  -8.684 -25.302
  477    HB3  ASP  51           HB1      ASP  51 -17.509 -10.144 -25.304
  478    H    SER  52           HN       SER  52 -14.974  -7.565 -22.842
  479    HA   SER  52           HA       SER  52 -12.899  -9.504 -23.037
  480    HB2  SER  52           HB2      SER  52 -12.034  -8.518 -21.015
  481    HB3  SER  52           HB1      SER  52 -12.658  -7.219 -22.027
  482    HG   SER  52           HG       SER  52 -14.614  -8.217 -20.482
  483    H    GLY  53           HN       GLY  53 -12.320 -11.072 -21.388
  484    HA2  GLY  53           HA2      GLY  53 -13.805 -11.996 -19.277
  485    HA3  GLY  53           HA1      GLY  53 -14.546 -12.748 -20.688
  486    H    ASN  54           HN       ASN  54 -13.807 -14.759 -19.600
  487    HA   ASN  54           HA       ASN  54 -12.375 -16.546 -19.404
  488    HB2  ASN  54           HB2      ASN  54 -11.040 -15.208 -21.769
  489    HB3  ASN  54           HB1      ASN  54 -10.826 -16.886 -21.273
  490   HD21  ASN  54          HD21      ASN  54 -13.236 -17.953 -20.895
  491   HD22  ASN  54          HD22      ASN  54 -14.276 -17.720 -22.216
  492    H    GLU  55           HN       GLU  55 -11.814 -14.466 -17.650
  493    HA   GLU  55           HA       GLU  55  -8.916 -14.823 -17.280
  494    HB2  GLU  55           HB2      GLU  55  -8.662 -12.426 -16.691
  495    HB3  GLU  55           HB1      GLU  55  -9.103 -12.658 -18.380
  496    HG2  GLU  55           HG2      GLU  55 -10.540 -10.929 -17.666
  497    HG3  GLU  55           HG1      GLU  55 -11.551 -12.369 -17.588
  498    H    SER  56           HN       SER  56  -8.224 -14.443 -15.090
  499    HA   SER  56           HA       SER  56 -10.273 -14.128 -13.035
  500    HB2  SER  56           HB2      SER  56 -10.371 -16.531 -13.515
  501    HB3  SER  56           HB1      SER  56  -8.631 -16.660 -13.278
  502    HG   SER  56           HG       SER  56 -10.344 -15.586 -11.304
  503    H    GLU  57           HN       GLU  57  -9.424 -13.638 -10.989
  504    HA   GLU  57           HA       GLU  57  -6.513 -13.445 -10.691
  505    HB2  GLU  57           HB2      GLU  57  -6.653 -11.081  -9.995
  506    HB3  GLU  57           HB1      GLU  57  -7.108 -11.298 -11.682
  507    HG2  GLU  57           HG2      GLU  57  -9.274 -11.360  -9.582
  508    HG3  GLU  57           HG1      GLU  57  -8.601  -9.809 -10.064
  509    H    GLY  58           HN       GLY  58  -5.843 -13.049  -8.494
  510    HA2  GLY  58           HA2      GLY  58  -6.081 -13.090  -6.173
  511    HA3  GLY  58           HA1      GLY  58  -7.830 -13.168  -6.376
  512    H    GLU  59           HN       GLU  59  -8.402 -15.333  -7.706
  513    HA   GLU  59           HA       GLU  59  -7.949 -17.474  -5.922
  514    HB2  GLU  59           HB2      GLU  59  -9.923 -17.270  -7.432
  515    HB3  GLU  59           HB1      GLU  59  -8.876 -17.625  -8.803
  516    HG2  GLU  59           HG2      GLU  59  -9.013 -19.485  -6.425
  517    HG3  GLU  59           HG1      GLU  59 -10.189 -19.592  -7.731
  518    H    ILE  60           HN       ILE  60  -6.496 -16.606  -9.025
  519    HA   ILE  60           HA       ILE  60  -4.967 -18.911  -9.476
  520    HB   ILE  60           HB       ILE  60  -5.346 -17.026 -11.085
  521   HG12  ILE  60          HG12      ILE  60  -3.013 -17.102 -12.021
  522   HG13  ILE  60          HG11      ILE  60  -2.482 -17.878 -10.533
  523   HG21  ILE  60          HG21      ILE  60  -4.085 -15.016 -10.920
  524   HG22  ILE  60          HG22      ILE  60  -3.072 -15.666  -9.632
  525   HG23  ILE  60          HG23      ILE  60  -4.761 -15.272  -9.312
  526   HD11  ILE  60          HD11      ILE  60  -4.802 -19.103 -11.987
  527   HD12  ILE  60          HD12      ILE  60  -3.533 -19.877 -11.037
  528   HD13  ILE  60          HD13      ILE  60  -3.190 -19.311 -12.669
  529    H    SER  61           HN       SER  61  -4.227 -15.974  -7.624
  530    HA   SER  61           HA       SER  61  -1.553 -16.716  -7.028
  531    HB2  SER  61           HB2      SER  61  -1.580 -14.858  -5.465
  532    HB3  SER  61           HB1      SER  61  -2.409 -14.383  -6.944
  533    HG   SER  61           HG       SER  61  -3.804 -15.512  -4.764
  534    H    ALA  62           HN       ALA  62  -4.554 -17.739  -5.838
  535    HA   ALA  62           HA       ALA  62  -3.914 -18.298  -3.131
  536    HB1  ALA  62           HB1      ALA  62  -6.230 -18.243  -4.229
  537    HB2  ALA  62           HB2      ALA  62  -5.934 -19.525  -3.055
  538    HB3  ALA  62           HB3      ALA  62  -5.878 -19.881  -4.781
  539    H    LEU  63           HN       LEU  63  -3.546 -20.154  -6.115
  540    HA   LEU  63           HA       LEU  63  -2.627 -22.522  -4.706
  541    HB2  LEU  63           HB2      LEU  63  -2.653 -21.865  -7.662
  542    HB3  LEU  63           HB1      LEU  63  -2.300 -23.445  -6.966
  543    HG   LEU  63           HG       LEU  63  -4.909 -21.934  -6.614
  544   HD11  LEU  63          HD11      LEU  63  -4.370 -24.432  -8.242
  545   HD12  LEU  63          HD12      LEU  63  -4.410 -22.813  -8.939
  546   HD13  LEU  63          HD13      LEU  63  -5.858 -23.486  -8.189
  547   HD21  LEU  63          HD21      LEU  63  -3.833 -24.551  -5.569
  548   HD22  LEU  63          HD22      LEU  63  -5.559 -24.403  -5.897
  549   HD23  LEU  63          HD23      LEU  63  -4.792 -23.327  -4.735
  550    H    VAL  64           HN       VAL  64  -1.236 -19.655  -6.006
  551    HA   VAL  64           HA       VAL  64   1.317 -20.552  -6.721
  552    HB   VAL  64           HB       VAL  64   0.367 -17.897  -5.634
  553   HG11  VAL  64          HG11      VAL  64   2.705 -17.936  -5.145
  554   HG12  VAL  64          HG12      VAL  64   2.560 -17.074  -6.677
  555   HG13  VAL  64          HG13      VAL  64   3.081 -18.758  -6.660
  556   HG21  VAL  64          HG21      VAL  64   0.526 -17.225  -7.984
  557   HG22  VAL  64          HG22      VAL  64  -0.506 -18.650  -7.846
  558   HG23  VAL  64          HG23      VAL  64   1.153 -18.815  -8.418
  559    H    GLU  65           HN       GLU  65   0.104 -19.439  -3.542
  560    HA   GLU  65           HA       GLU  65   2.586 -19.600  -2.208
  561    HB2  GLU  65           HB2      GLU  65   0.607 -18.414  -1.309
  562    HB3  GLU  65           HB1      GLU  65  -0.194 -19.966  -1.064
  563    HG2  GLU  65           HG2      GLU  65   1.575 -20.666   0.482
  564    HG3  GLU  65           HG1      GLU  65   2.442 -19.158   0.199
  565    H    LEU  66           HN       LEU  66   0.058 -21.998  -2.809
  566    HA   LEU  66           HA       LEU  66   1.153 -24.015  -1.117
  567    HB2  LEU  66           HB2      LEU  66  -0.786 -24.073  -3.429
  568    HB3  LEU  66           HB1      LEU  66  -0.257 -25.553  -2.630
  569    HG   LEU  66           HG       LEU  66  -1.101 -24.765  -0.493
  570   HD11  LEU  66          HD11      LEU  66  -2.447 -22.554  -0.547
  571   HD12  LEU  66          HD12      LEU  66  -1.551 -22.203  -2.023
  572   HD13  LEU  66          HD13      LEU  66  -0.690 -22.436  -0.503
  573   HD21  LEU  66          HD21      LEU  66  -2.696 -25.833  -2.088
  574   HD22  LEU  66          HD22      LEU  66  -3.146 -24.230  -2.671
  575   HD23  LEU  66          HD23      LEU  66  -3.493 -24.692  -1.004
  576    H    GLY  67           HN       GLY  67   1.595 -23.209  -4.538
  577    HA2  GLY  67           HA2      GLY  67   3.245 -25.501  -5.076
  578    HA3  GLY  67           HA1      GLY  67   3.038 -24.096  -6.119
  579    H    VAL  68           HN       VAL  68   3.854 -22.072  -4.366
  580    HA   VAL  68           HA       VAL  68   6.673 -22.212  -4.669
  581    HB   VAL  68           HB       VAL  68   4.901 -20.279  -3.158
  582   HG11  VAL  68          HG11      VAL  68   7.052 -20.097  -2.133
  583   HG12  VAL  68          HG12      VAL  68   6.979 -18.796  -3.321
  584   HG13  VAL  68          HG13      VAL  68   7.881 -20.267  -3.680
  585   HG21  VAL  68          HG21      VAL  68   5.135 -18.885  -5.081
  586   HG22  VAL  68          HG22      VAL  68   4.778 -20.493  -5.711
  587   HG23  VAL  68          HG23      VAL  68   6.432 -19.883  -5.737
  588    H    GLU  69           HN       GLU  69   4.543 -22.472  -1.827
  589    HA   GLU  69           HA       GLU  69   6.592 -22.670   0.105
  590    HB2  GLU  69           HB2      GLU  69   4.229 -22.259   0.686
  591    HB3  GLU  69           HB1      GLU  69   3.813 -23.883   0.143
  592    HG2  GLU  69           HG2      GLU  69   4.062 -23.851   2.580
  593    HG3  GLU  69           HG1      GLU  69   5.338 -24.830   1.866
  594    H    LEU  70           HN       LEU  70   4.824 -25.144  -1.725
  595    HA   LEU  70           HA       LEU  70   6.121 -27.393  -0.599
  596    HB2  LEU  70           HB2      LEU  70   4.020 -27.567  -1.862
  597    HB3  LEU  70           HB1      LEU  70   4.849 -27.051  -3.328
  598    HG   LEU  70           HG       LEU  70   6.299 -29.055  -3.215
  599   HD11  LEU  70          HD11      LEU  70   4.769 -29.479  -0.651
  600   HD12  LEU  70          HD12      LEU  70   6.499 -29.649  -0.957
  601   HD13  LEU  70          HD13      LEU  70   5.379 -30.872  -1.546
  602   HD21  LEU  70          HD21      LEU  70   4.061 -29.053  -4.390
  603   HD22  LEU  70          HD22      LEU  70   3.377 -29.813  -2.953
  604   HD23  LEU  70          HD23      LEU  70   4.618 -30.650  -3.887
  605    H    GLY  71           HN       GLY  71   6.816 -25.462  -3.500
  606    HA2  GLY  71           HA2      GLY  71   9.063 -27.034  -4.305
  607    HA3  GLY  71           HA1      GLY  71   8.657 -25.424  -4.892
  608    H    HIS  72           HN       HIS  72  11.255 -26.633  -4.061
  609    HA   HIS  72           HA       HIS  72  12.100 -25.520  -1.595
  610    HB2  HIS  72           HB2      HIS  72  13.600 -26.385  -4.071
  611    HB3  HIS  72           HB1      HIS  72  14.414 -25.778  -2.629
  612    HD1  HIS  72           HD1      HIS  72  12.125 -28.592  -3.741
  613    HD2  HIS  72           HD2      HIS  72  14.616 -27.627  -0.541
  614    HE1  HIS  72           HE1      HIS  72  12.263 -30.664  -2.291
  615    HE2  HIS  72           HE2      HIS  72  13.778 -30.092  -0.335
  616    H    HIS  73           HN       HIS  73  12.106 -24.307  -4.913
  617    HA   HIS  73           HA       HIS  73  12.365 -21.572  -3.926
  618    HB2  HIS  73           HB2      HIS  73  14.704 -22.296  -4.246
  619    HB3  HIS  73           HB1      HIS  73  14.334 -22.726  -5.915
  620    HD1  HIS  73           HD1      HIS  73  14.177 -19.667  -3.642
  621    HD2  HIS  73           HD2      HIS  73  14.600 -20.611  -7.681
  622    HE1  HIS  73           HE1      HIS  73  14.598 -17.480  -4.849
  623    HE2  HIS  73           HE2      HIS  73  14.858 -18.039  -7.312
  624    H    ALA  74           HN       ALA  74  11.444 -20.079  -5.270
  625    HA   ALA  74           HA       ALA  74  10.372 -21.030  -7.860
  626    HB1  ALA  74           HB1      ALA  74   8.240 -20.182  -7.394
  627    HB2  ALA  74           HB2      ALA  74   8.832 -19.124  -6.114
  628    HB3  ALA  74           HB3      ALA  74   8.720 -20.861  -5.841
  629    HA   PRO  75           HA       PRO  75  12.052 -17.390  -9.771
  630    HB2  PRO  75           HB2      PRO  75   9.233 -16.641 -10.531
  631    HB3  PRO  75           HB1      PRO  75  10.696 -16.686 -11.540
  632    HG2  PRO  75           HG2      PRO  75   8.932 -18.623 -11.722
  633    HG3  PRO  75           HG1      PRO  75  10.665 -19.007 -11.698
  634    HD2  PRO  75           HD2      PRO  75   8.636 -19.312  -9.504
  635    HD3  PRO  75           HD1      PRO  75  10.008 -20.359  -9.931
  636    H    TRP  76           HN       TRP  76   9.049 -16.883  -7.944
  637    HA   TRP  76           HA       TRP  76   9.753 -14.130  -7.285
  638    HB2  TRP  76           HB2      TRP  76   7.405 -14.702  -7.711
  639    HB3  TRP  76           HB1      TRP  76   7.440 -15.868  -6.389
  640    HD1  TRP  76           HD1      TRP  76   7.490 -12.116  -7.087
  641    HE1  TRP  76           HE1      TRP  76   6.951 -10.859  -4.901
  642    HE3  TRP  76           HE3      TRP  76   7.519 -16.020  -3.796
  643    HZ2  TRP  76           HZ2      TRP  76   6.580 -11.434  -2.123
  644    HZ3  TRP  76           HZ3      TRP  76   7.070 -15.638  -1.389
  645    HH2  TRP  76           HH2      TRP  76   6.602 -13.352  -0.549
  646    H    ASP  77           HN       ASP  77  11.164 -13.737  -5.708
  647    HA   ASP  77           HA       ASP  77  11.728 -15.721  -3.659
  648    HB2  ASP  77           HB2      ASP  77  13.515 -14.239  -2.990
  649    HB3  ASP  77           HB1      ASP  77  13.525 -14.374  -4.747
  650    H    VAL  78           HN       VAL  78  12.163 -14.578  -1.382
  651    HA   VAL  78           HA       VAL  78   9.575 -13.941  -0.354
  652    HB   VAL  78           HB       VAL  78  10.763 -13.648   1.794
  653   HG11  VAL  78          HG11      VAL  78  11.536 -15.930   1.988
  654   HG12  VAL  78          HG12      VAL  78  11.830 -16.029   0.252
  655   HG13  VAL  78          HG13      VAL  78  10.178 -15.921   0.862
  656   HG21  VAL  78          HG21      VAL  78  13.215 -13.969   0.034
  657   HG22  VAL  78          HG22      VAL  78  13.241 -14.069   1.795
  658   HG23  VAL  78          HG23      VAL  78  12.790 -12.558   1.004
  659    H    ASP  79           HN       ASP  79  12.270 -12.086  -1.505
  660    HA   ASP  79           HA       ASP  79  11.364  -9.598  -0.285
  661    HB2  ASP  79           HB2      ASP  79  13.773 -10.041  -0.554
  662    HB3  ASP  79           HB1      ASP  79  13.561 -10.123  -2.302
  663    H    ASP  80           HN       ASP  80   9.550  -8.758  -1.129
  664    HA   ASP  80           HA       ASP  80   8.913  -9.034  -3.952
  665    HB2  ASP  80           HB2      ASP  80   6.838  -7.918  -3.388
  666    HB3  ASP  80           HB1      ASP  80   7.165  -9.164  -2.185
  667    H    LEU  81           HN       LEU  81  10.997  -7.110  -2.355
  668    HA   LEU  81           HA       LEU  81  11.932  -5.043  -2.721
  669    HB2  LEU  81           HB2      LEU  81  12.450  -6.113  -4.868
  670    HB3  LEU  81           HB1      LEU  81  10.889  -5.610  -5.509
  671    HG   LEU  81           HG       LEU  81  11.532  -3.236  -5.218
  672   HD11  LEU  81          HD11      LEU  81  14.115  -2.934  -4.805
  673   HD12  LEU  81          HD12      LEU  81  13.988  -4.504  -4.011
  674   HD13  LEU  81          HD13      LEU  81  13.040  -3.136  -3.425
  675   HD21  LEU  81          HD21      LEU  81  11.996  -4.166  -7.372
  676   HD22  LEU  81          HD22      LEU  81  13.411  -5.029  -6.771
  677   HD23  LEU  81          HD23      LEU  81  13.444  -3.271  -6.911