NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  4     H  4.7204 8.3033 120.4057 55.1318 31.0474 174.1138
  5     P  4.0586 0.0000   0.0000 64.6845 31.3714 176.2175
  6     Q  3.8093 9.0261 119.5401 57.9777 29.9347 176.1028
  7     F  5.0474 7.7927 114.4645 56.8335 39.7371 174.7355
  8     E  4.0948 8.2319 122.1541 56.2533 30.0237 176.8301
  9     K  4.2186 8.6030 124.0143 56.6669 32.3240 176.4346

  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 4.72 0.00 3.29 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.79 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 4.06 0.00 2.06 2.04 0.00 3.03 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 
  6     Q  9.03 3.81 0.00 1.71 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.28 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 
  7     F  7.79 5.05 0.00 3.11 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  8.23 4.09 0.00 1.94 1.87 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 2.30 2.36 0.00 
  9     K  8.60 4.22 0.00 1.80 1.71 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.39 7.81