============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 9 0.900 81.783 72.587 11.356 -99.200 -91.000 PHE 48 1.000 80.251 76.490 12.070 -99.200 -91.000 PHE 70 1.000 83.806 63.044 9.369 -99.200 -91.000 PHE 75 1.000 82.570 65.395 13.393 -99.200 -91.000 HIS 86 0.900 74.531 66.092 26.748 -99.200 -91.000 HIS 95 0.900 72.955 57.670 4.622 -99.200 -91.000 TYR 102 0.840 80.435 60.155 13.036 -99.200 -91.000 TYR 112 0.840 75.515 53.531 21.631 -99.200 -91.000 PHE 114 1.000 74.199 52.594 12.083 -99.200 -91.000 TYR 119 0.840 62.509 56.374 3.015 -99.200 -91.000 TYR 123 0.840 60.120 57.261 20.513 -99.200 -91.000 TYR 135 0.840 65.311 43.404 -1.764 -99.200 -91.000 PHE 145 1.000 65.934 51.179 15.481 -99.200 -91.000 PHE 160 1.000 62.442 63.159 8.895 -99.200 -91.000 TYR 188 0.840 87.260 71.243 2.693 -99.200 -91.000 PHE 204 1.000 63.979 73.354 -21.756 -99.200 -91.000 PHE 221 1.000 70.128 62.069 -26.121 -99.200 -91.000 TRP 243 1.040 81.631 59.221 -21.820 -99.200 -91.000 TRP6 243 1.020 79.875 57.648 -21.954 -99.200 -91.000 TYR 263 0.840 66.727 67.397 -14.402 -99.200 -91.000 HIS 274 0.900 70.207 62.903 -11.723 -99.200 -91.000 HIS 280 0.900 65.206 71.719 -7.117 -99.200 -91.000 PHE 296 1.000 59.091 56.682 -15.878 -99.200 -91.000 TYR 301 0.840 53.456 66.743 -17.970 -99.200 -91.000 PHE 308 1.000 69.976 56.181 -27.688 -99.200 -91.000