NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1140 8.0093 120.7870 60.6972 39.1772 175.1476
  2     S  4.2754 8.3665 121.4810 55.2039 63.9893 171.6383
  3     P  4.4205 0.0000   0.0000 63.1725 32.6744 177.5259
  4     R  4.3460 8.3883 118.7817 56.2138 30.3372 177.0226
  5     T  4.0355 7.6875 109.2273 61.2206 67.6460 173.7315
  6     L  4.5747 8.2552 127.9436 53.2599 42.3972 175.9300
  7     D  4.9125 8.4420 123.1318 51.8378 43.6243 176.2761
  8     A  4.2353 8.5815 127.1441 51.6938 19.2163 177.1881
  9     W  4.4722 8.8366 120.1363 57.1749 29.1369 176.3801

  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     I  8.01 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 
  2     S  8.37 4.28 0.00 4.11 3.85 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     P  0.00 4.42 0.00 2.21 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 
  4     R  8.39 4.35 0.00 1.80 1.99 0.00 3.26 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 
  5     T  7.69 4.04 4.26 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 1.22 0.00 0.00 
  6     L  8.26 4.57 0.00 1.64 1.67 0.92 1.05 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 
  7     D  8.44 4.91 0.00 2.69 2.62 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     A  8.58 4.24 1.29 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 
  9     W  8.84 4.47 0.00 3.27 3.13 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