============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 23.439 -17.517 42.128 -99.200 -91.000 PHE 27 1.000 24.296 -24.143 35.897 -99.200 -91.000 HIS 40 0.900 36.723 -32.795 21.373 -99.200 -91.000 TYR 47 0.840 31.022 -32.174 33.441 -99.200 -91.000 HIS 49 0.900 30.389 -36.594 26.551 -99.200 -91.000 HIS 66 0.900 19.224 -41.250 26.679 -99.200 -91.000 PHE 68 1.000 10.642 -34.427 29.282 -99.200 -91.000 TYR 71 0.840 19.657 -36.976 33.765 -99.200 -91.000 TYR 86 0.840 41.938 -15.984 15.491 -99.200 -91.000 TRP 97 1.040 32.827 -15.595 7.102 -99.200 -91.000 TRP6 97 1.020 30.505 -15.159 7.373 -99.200 -91.000 PHE 106 1.000 22.238 -21.890 10.808 -99.200 -91.000 TYR 108 0.840 25.352 -20.600 21.380 -99.200 -91.000 TYR 109 0.840 17.127 -22.943 14.418 -99.200 -91.000 TYR 110 0.840 20.688 -27.051 13.787 -99.200 -91.000 PHE 114 1.000 15.528 -30.198 17.235 -99.200 -91.000 TYR 118 0.840 11.530 -32.985 25.302 -99.200 -91.000 TYR 145 0.840 34.537 -15.302 18.379 -99.200 -91.000 HIS 150 0.900 28.195 -8.018 16.598 -99.200 -91.000 TYR 163 0.840 9.404 -20.103 23.054 -99.200 -91.000 TRP 204 1.040 45.846 -10.498 24.059 -99.200 -91.000 TRP6 204 1.020 45.788 -12.822 23.581 -99.200 -91.000 HIS 206 0.900 49.360 -5.791 32.475 -99.200 -91.000 HIS 208 0.900 40.601 -7.816 29.224 -99.200 -91.000 PHE 225 1.000 22.127 -12.535 38.821 -99.200 -91.000 PHE 233 1.000 10.479 -7.458 35.807 -99.200 -91.000 TYR 240 0.840 28.572 -6.741 26.986 -99.200 -91.000