NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.3444 8.3444 119.6959 55.4496 29.0246 174.2843
  2     Y  3.9654 8.2796 123.0443 56.2564 39.5028 174.1349
  3     D  4.3305 7.3898 124.8993 54.1191 42.1321 175.2818
  4     D  4.6335 8.8016 124.5964 53.5465 39.1269 175.5053
  5     A  4.5951 7.8772 123.1660 50.3438 20.1548 177.4546
  6     V  3.6597 8.3936 122.8946 63.6010 32.2305 174.7317
  7     Y  4.8597 7.7056 123.3208 55.2005 39.9469 175.1907
  8     K  4.6628 8.4560 120.3263 54.8732 35.8207 176.4312
  9     L  4.3064 8.7341 122.2758 54.9784 41.7515 176.4650

  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     Q  8.34 4.34 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 
  2     Y  8.28 3.97 0.00 2.96 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 
  3     D  7.39 4.33 0.00 2.43 2.22 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 
  4     D  8.80 4.63 0.00 2.84 2.79 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 
  5     A  7.88 4.60 1.27 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 
  6     V  8.39 3.66 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.90 0.00 0.00 
  7     Y  7.71 4.86 0.00 3.04 2.93 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     K  8.46 4.66 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.43 7.81 
  9     L  8.73 4.31 0.00 1.69 1.60 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00