NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4987 8.3349 116.7943 58.4274 64.3097 172.8078
  2     N  4.8689 8.4440 119.1415 50.6169 42.0374 172.3703
  3     Q  4.4522 9.3365 123.4359 54.2475 32.7396 173.5136
  4     N  4.6185 8.7526 122.4044 51.4564 40.2811 174.1587
  5     N  4.7629 8.1212 120.8275 51.3217 39.3817 174.5706
  6     F  4.3285 8.5663 120.6266 57.5779 39.1180 176.0159

  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 4.50 0.00 3.87 3.86 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     N  8.44 4.87 0.00 2.73 2.65 0.00 0.00 6.65 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     Q  9.34 4.45 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 
  4     N  8.75 4.62 0.00 2.66 1.99 0.00 0.00 6.92 8.00 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     N  8.12 4.76 0.00 2.58 2.71 0.00 0.00 7.17 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 
  6     F  8.57 4.33 0.00 3.04 2.94 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