NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4395 8.3349 115.2879 57.4894 64.2717 173.1960
  2     D  4.7643 7.8908 118.3434 52.1661 43.8308 169.9184
  3     V  4.0512 8.6550 123.8006 60.9182 34.4203 174.1821
  4     A  4.5549 8.1334 129.9912 50.4605 20.5517 175.7222
  5     F  4.7625 8.6398 120.0724 55.5396 41.4130 175.0108
  6     R  4.7381 8.4214 120.6458 54.2070 32.6987 174.0616
  7     G  3.8954 7.5989 103.9386 46.0625  0.0000 171.1809
  8     N  4.8421 8.4661 117.2937 51.7410 41.3155 174.3350
  9     L  4.3609 8.5393 125.9994 54.1067 42.7377 176.1643
  10    L  4.7997 8.1277 122.2866 52.7839 44.4179 176.2865
  11    D  4.5165 8.6182 120.7748 54.7426 40.8007 176.3220

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     S  8.33 4.44 0.00 3.84 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     D  7.89 4.76 0.00 2.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     V  8.65 4.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.88 0.00 0.00 
  4     A  8.13 4.55 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     F  8.64 4.76 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     R  8.42 4.74 0.00 1.87 1.87 0.00 3.13 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 
  7     G  7.60 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     N  8.47 4.84 0.00 2.61 2.66 0.00 0.00 6.88 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.54 4.36 0.00 1.68 1.58 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 
  10    L  8.13 4.80 0.00 1.60 1.54 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 
  11    D  8.62 4.52 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00