============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 26 0.840 71.861 31.251 267.818 -99.200 -91.000 PHE 29 1.000 68.709 28.946 274.227 -99.200 -91.000 TYR 30 0.840 67.865 22.201 267.592 -99.200 -91.000 TYR 35 0.840 64.833 23.877 278.212 -99.200 -91.000 HIS 36 0.900 58.845 19.113 271.208 -99.200 -91.000 TRP 37 1.040 62.077 15.337 272.253 -99.200 -91.000 TRP6 37 1.020 64.406 15.206 271.916 -99.200 -91.000 PHE 44 1.000 52.762 16.942 276.550 -99.200 -91.000 PHE 45 1.000 47.832 18.109 275.184 -99.200 -91.000 HIS 48 0.900 55.289 18.024 272.567 -99.200 -91.000 PHE 51 1.000 59.448 24.681 276.503 -99.200 -91.000 TYR 55 0.840 62.268 21.850 268.510 -99.200 -91.000 HIS 77 0.900 82.418 20.600 260.249 -99.200 -91.000 PHE 79 1.000 75.862 16.183 268.326 -99.200 -91.000 TYR 82 0.840 78.427 22.752 267.088 -99.200 -91.000 HIS 91 0.900 68.046 23.226 282.298 -99.200 -91.000 PHE 107 1.000 66.084 32.864 273.010 -99.200 -91.000 HIS 112 0.900 77.651 40.020 277.043 -99.200 -91.000 TYR 135 0.840 70.652 35.510 263.691 -99.200 -91.000 TRP 144 1.040 56.959 41.675 276.238 -99.200 -91.000 TRP6 144 1.020 55.787 41.434 274.243 -99.200 -91.000 TRP 148 1.040 54.167 31.018 280.281 -99.200 -91.000 TRP6 148 1.020 55.221 29.674 281.898 -99.200 -91.000