NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4134 8.3193 115.2932 57.9997 63.4972 173.5671
  2     S  4.2861 8.4744 122.2801 56.9656 63.9008 171.9624
  3     Y  4.2496 8.5985 122.6268 57.4412 40.1264 176.2345
  4     R  4.0675 7.5318 125.7384 53.9813 30.8980 175.5616
  5     R  3.7398 8.0430 127.0096 55.4736 29.9782 174.4002
  6     P  4.4512 0.0000   0.0000 63.4053 32.1266 176.2269
  7     V  4.3981 7.4207 118.9091 59.3680 33.4427 175.8882
  8     G  3.7912 8.4351 111.8853 45.2053  0.0000 173.4582
  9     I  3.8931 8.1728 119.8445 61.4686 37.0860 176.3277

  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  8.32 4.41 0.00 3.86 3.87 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     S  8.47 4.29 0.00 4.15 3.88 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     Y  8.60 4.25 0.00 2.86 2.93 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 
  4     R  7.53 4.07 0.00 1.62 1.55 0.00 3.17 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00 
  5     R  8.04 3.74 0.00 1.96 1.83 0.00 3.47 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 
  6     P  0.00 4.45 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 
  7     V  7.42 4.40 2.10 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 0.80 0.00 0.00 0.94 0.00 0.00 
  8     G  8.44 3.79 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 
  9     I  8.17 3.89 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.92 0.00 0.00