============================================================================= 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 15 1.000 51.866 -26.489 187.934 -99.200 -91.000 TYR 25 0.840 42.966 -27.274 191.977 -99.200 -91.000 HIS 54 0.900 40.955 -31.934 176.959 -99.200 -91.000 HIS 57 0.900 42.830 -26.823 181.003 -99.200 -91.000 HIS 85 0.900 39.086 -26.559 166.558 -99.200 -91.000 PHE 93 1.000 37.790 -32.127 179.526 -99.200 -91.000 HIS 97 0.900 35.609 -34.017 182.688 -99.200 -91.000 TYR 108 0.840 44.202 -17.889 173.969 -99.200 -91.000 TYR 109 0.840 49.242 -15.694 167.902 -99.200 -91.000 TYR 118 0.840 25.979 -12.984 167.776 -99.200 -91.000 HIS 120 0.900 35.285 -18.312 170.630 -99.200 -91.000 TYR 121 0.840 32.748 -15.357 174.160 -99.200 -91.000 TYR 135 0.840 39.112 -13.701 181.923 -99.200 -91.000 PHE 154 1.000 21.878 -10.527 179.929 -99.200 -91.000 TYR 161 0.840 26.509 -15.965 184.668 -99.200 -91.000 HIS 178 0.900 23.939 1.940 176.740 -99.200 -91.000 TYR 191 0.840 32.841 0.845 197.150 -99.200 -91.000 HIS 217 0.900 29.469 -12.884 200.883 -99.200 -91.000 PHE 218 1.000 30.484 -5.783 205.545 -99.200 -91.000 TYR 224 0.840 26.674 0.488 197.720 -99.200 -91.000 TYR 235 0.840 45.537 0.760 195.310 -99.200 -91.000 PHE 242 1.000 46.936 -8.570 189.486 -99.200 -91.000 TYR 254 0.840 57.825 -21.135 199.352 -99.200 -91.000 PHE 264 1.000 55.398 -19.285 189.562 -99.200 -91.000 PHE 276 1.000 60.483 -14.535 197.634 -99.200 -91.000 TYR 285 0.840 46.827 -6.518 203.488 -99.200 -91.000 PHE 290 1.000 46.272 -25.137 204.228 -99.200 -91.000