============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 -16.062 66.192 65.583 -99.200 -91.000 HIS 25 0.900 -23.357 57.596 72.076 -99.200 -91.000 PHE 38 1.000 -18.353 66.890 82.515 -99.200 -91.000 TYR 62 0.840 -32.342 71.825 77.010 -99.200 -91.000 PHE 70 1.000 -22.561 74.470 77.431 -99.200 -91.000 PHE 90 1.000 -29.457 75.748 75.862 -99.200 -91.000 TYR 98 0.840 -11.433 71.574 79.158 -99.200 -91.000 TYR 101 0.840 -6.911 73.736 76.393 -99.200 -91.000 TYR 102 0.840 0.894 75.121 74.675 -99.200 -91.000 TYR 103 0.840 -0.867 79.377 77.302 -99.200 -91.000 HIS 110 0.900 -2.215 85.160 87.047 -99.200 -91.000 TYR 114 0.840 -10.649 79.254 83.377 -99.200 -91.000 PHE 115 1.000 -11.224 75.999 87.334 -99.200 -91.000 HIS 124 0.900 -28.062 76.256 84.321 -99.200 -91.000 TYR 127 0.840 -21.575 69.387 88.686 -99.200 -91.000 TYR 129 0.840 -12.924 67.083 82.253 -99.200 -91.000 TYR 131 0.840 -7.377 63.892 81.726 -99.200 -91.000 PHE 150 1.000 -14.567 74.323 91.161 -99.200 -91.000 HIS 162 0.900 -6.112 64.752 93.247 -99.200 -91.000 TYR 166 0.840 -10.945 66.950 94.158 -99.200 -91.000 TYR 176 0.840 -20.240 63.017 89.938 -99.200 -91.000 TYR 201 0.840 -16.159 51.503 75.002 -99.200 -91.000 PHE 226 1.000 -10.607 42.704 88.953 -99.200 -91.000 HIS 228 0.900 -16.003 49.067 81.267 -99.200 -91.000 PHE 238 1.000 -4.701 49.125 66.656 -99.200 -91.000 TYR 245 0.840 -15.481 59.032 67.369 -99.200 -91.000 TYR 250 0.840 -17.845 44.139 68.417 -99.200 -91.000 PHE 251 1.000 -18.436 45.957 73.077 -99.200 -91.000 TYR 254 0.840 -25.807 54.092 68.697 -99.200 -91.000 TYR 258 0.840 -15.926 59.656 58.700 -99.200 -91.000 PHE 264 1.000 -4.836 62.051 61.754 -99.200 -91.000