NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3693 8.3193 115.4095 58.1034 64.2469 173.4936
  2     S  4.1964 8.3959 118.4192 56.8991 64.1802 171.2569
  3     I  4.2253 7.6230 120.1991 58.7765 40.6706 175.3584
  4     E  3.9933 8.2244 126.0538 55.3640 30.0692 176.4503
  5     F  4.5117 8.3207 124.8274 57.1786 39.8661 175.1175
  6     A  4.5218 8.4398 126.5474 51.3648 19.9355 177.0447
  7     R  4.5063 8.0839 118.1494 54.9143 31.6317 177.1902
  8     L  4.1779 8.3208 119.3883 55.2168 41.6626 177.1157

  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 4.37 0.00 3.96 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     S  8.40 4.20 0.00 3.94 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     I  7.62 4.23 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.48 0.00 0.00 
  4     E  8.22 3.99 0.00 1.88 1.76 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 2.26 2.30 0.00 
  5     F  8.32 4.51 0.00 3.13 2.90 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 
  6     A  8.44 4.52 1.28 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 
  7     R  8.08 4.51 0.00 1.83 1.87 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 
  8     L  8.32 4.18 0.00 1.62 1.57 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00