NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  4     H  4.7439 8.3033 120.4056 55.1327 31.2020 173.9969
  5     P  4.2057 0.0000   0.0000 64.8398 31.4441 176.8959
  6     Q  3.7062 9.0533 119.5441 58.2218 29.7506 176.4742
  7     F  5.0535 7.9734 113.8671 56.8584 39.6984 175.1846
  8     E  4.3408 7.8130 119.1154 55.9866 30.3489 177.0362
  9     K  4.1997 8.4437 118.1977 56.6840 32.4773 176.3927

  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   
  4     H  8.30 4.74 0.00 3.31 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     P  0.00 4.21 0.00 2.19 2.03 0.00 2.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 
  6     Q  9.05 3.71 0.00 1.66 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.17 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 
  7     F  7.97 5.05 0.00 3.12 2.87 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 
  8     E  7.81 4.34 0.00 2.06 1.98 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 2.47 2.28 0.00 
  9     K  8.44 4.20 0.00 1.76 1.75 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81