NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  -1    P  4.3948 0.0000   0.0000 62.4746 32.6225 176.2586
  0     S  4.2526 8.4464 118.1957 57.0437 63.6694 172.0947
  1     Y  4.1431 8.6807 124.3172 57.6080 40.2784 174.7620
  2     S  4.5503 7.6033 120.9468 55.5269 64.7814 172.5041
  3     P  4.3716 0.0000   0.0000 64.2245 31.2665 176.9022
  4     T  4.1615 7.2571 108.9791 62.9081 69.4750 175.4059
  5     S  4.2353 7.3348 119.5383 57.2547 63.3631 172.4926
  6     P  4.3899 0.0000   0.0000 62.6430 31.8243 176.5732
  7     S  4.3474 8.4964 115.4234 59.0505 62.7616 174.4038

  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    P  0.00 4.39 0.00 2.20 2.13 0.00 3.74 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 1.90 2.00 0.00 
  0     S  8.45 4.25 0.00 3.99 3.88 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 
  1     Y  8.68 4.14 0.00 2.90 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 
  2     S  7.60 4.55 0.00 3.71 3.42 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 4.37 0.00 2.22 2.23 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 
  4     T  7.26 4.16 4.19 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 1.17 0.00 0.00 
  5     S  7.33 4.24 0.00 3.82 3.72 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     P  0.00 4.39 0.00 2.03 1.99 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 
  7     S  8.50 4.35 0.00 3.88 3.80 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