============================================================================= 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 9 1.000 31.209 -16.486 -5.614 -99.200 -91.000 HIS 30 0.900 8.200 -12.528 -31.121 -99.200 -91.000 TYR 36 0.840 10.967 -9.322 -26.923 -99.200 -91.000 TYR 38 0.840 13.895 -7.232 -20.882 -99.200 -91.000 TRP 39 1.040 22.745 -8.475 -19.409 -99.200 -91.000 TRP6 39 1.020 23.717 -10.337 -18.322 -99.200 -91.000 TYR 40 0.840 15.964 -6.669 -14.414 -99.200 -91.000 HIS 49 0.900 20.481 -0.603 -10.562 -99.200 -91.000 TYR 53 0.840 15.511 -1.063 -23.609 -99.200 -91.000 HIS 54 0.900 13.254 -4.850 -26.117 -99.200 -91.000 PHE 66 1.000 27.240 -0.698 -15.969 -99.200 -91.000 PHE 75 1.000 21.144 -14.471 -23.747 -99.200 -91.000 TYR 90 0.840 26.835 -6.287 -12.190 -99.200 -91.000 TYR 91 0.840 20.343 -11.400 -9.364 -99.200 -91.000 HIS 94 0.900 11.952 -15.936 -19.623 -99.200 -91.000 PHE 102 1.000 13.741 -12.624 -12.451 -99.200 -91.000 PHE 122 1.000 36.849 -5.760 20.768 -99.200 -91.000 PHE 139 1.000 34.055 -6.865 15.982 -99.200 -91.000 PHE 143 1.000 39.576 -10.553 5.649 -99.200 -91.000 TYR 144 0.840 41.559 -8.688 -2.671 -99.200 -91.000 TRP 152 1.040 37.322 -18.296 18.259 -99.200 -91.000 TRP6 152 1.020 37.809 -16.434 19.628 -99.200 -91.000 TRP 167 1.040 33.418 -14.991 6.645 -99.200 -91.000 TRP6 167 1.020 32.075 -16.805 7.310 -99.200 -91.000 TYR 177 0.840 36.128 -9.669 0.033 -99.200 -91.000 TYR 190 0.840 35.667 -16.015 30.446 -99.200 -91.000 HIS 193 0.900 40.082 -23.963 30.223 -99.200 -91.000 TYR 196 0.840 39.247 -17.999 27.271 -99.200 -91.000 HIS 202 0.900 44.590 -12.419 4.311 -99.200 -91.000 PHE 213 1.000 40.225 -11.109 28.427 -99.200 -91.000