============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 10 1.000 17.682 -8.864 -3.775 -99.200 -91.000 PHE 33 1.000 21.124 -11.954 -8.086 -99.200 -91.000 PHE 59 1.000 18.150 -20.872 -2.655 -99.200 -91.000 HIS 60 0.900 25.210 -20.551 -0.777 -99.200 -91.000 TYR 62 0.840 20.796 -15.643 5.789 -99.200 -91.000 PHE 79 1.000 32.432 -11.427 2.068 -99.200 -91.000 HIS 98 0.900 -4.045 -11.521 13.434 -99.200 -91.000 PHE 108 1.000 15.284 -3.120 14.974 -99.200 -91.000 PHE 121 1.000 32.995 -13.108 6.898 -99.200 -91.000 TRP 122 1.040 32.286 -6.385 2.440 -99.200 -91.000 TRP6 122 1.020 30.050 -5.781 1.985 -99.200 -91.000 PHE 142 1.000 10.626 7.274 4.193 -99.200 -91.000 HIS 146 0.900 -3.511 5.008 10.979 -99.200 -91.000 TYR 151 0.840 5.440 -3.989 7.159 -99.200 -91.000 PHE 161 1.000 21.539 -1.534 11.654 -99.200 -91.000 TYR 177 0.840 22.341 2.085 -1.663 -99.200 -91.000 HIS 190 0.900 -1.961 -8.878 -4.198 -99.200 -91.000 PHE 192 1.000 -1.912 -5.886 4.865 -99.200 -91.000 TRP 195 1.040 -1.300 -4.597 17.861 -99.200 -91.000 TRP6 195 1.020 -2.235 -2.794 19.082 -99.200 -91.000 HIS 209 0.900 -6.842 5.425 -1.088 -99.200 -91.000 PHE 221 1.000 16.153 -2.851 -4.510 -99.200 -91.000 TRP 234 1.040 18.379 5.829 -3.211 -99.200 -91.000 TRP6 234 1.020 18.557 7.639 -4.724 -99.200 -91.000 TRP 246 1.040 15.987 11.265 9.327 -99.200 -91.000 TRP6 246 1.020 14.240 9.787 8.724 -99.200 -91.000 HIS 249 0.900 11.716 16.358 13.964 -99.200 -91.000 TRP 250 1.040 18.809 15.474 20.369 -99.200 -91.000 TRP6 250 1.020 20.134 13.522 20.246 -99.200 -91.000 HIS 253 0.900 25.056 19.398 19.261 -99.200 -91.000