NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3050 8.3344 115.2904 57.8446 63.7891 173.3878
  2     I  3.7623 7.6961 119.5955 59.3338 38.7544 172.0812
  3     I  4.1828 8.4582 122.8633 58.9672 40.9574 173.2369
  4     N  4.7588 7.9556 118.1361 51.3004 40.2753 174.2839
  5     F  4.5720 8.9430 122.3793 56.1342 40.2570 175.7000
  6     E  4.2138 9.0910 125.7968 55.9988 28.9509 175.7822
  7     K  4.3222 8.1146 124.6735 54.8811 32.9537 176.5165
  8     L  4.1858 8.4412 122.1524 55.1530 41.5617 176.9292

  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 4.30 0.00 3.84 3.92 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     I  7.70 3.76 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.94 0.00 0.00 
  3     I  8.46 4.18 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 0.10 0.00 0.00 
  4     N  7.96 4.76 0.00 2.61 2.68 0.00 0.00 6.82 7.45 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  8.94 4.57 0.00 2.89 3.01 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     E  9.09 4.21 0.00 1.94 1.94 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 2.31 2.41 0.00 
  7     K  8.11 4.32 0.00 1.79 1.72 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.61 7.81 
  8     L  8.44 4.19 0.00 1.63 1.58 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00