============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 11.077 -4.356 15.434 -99.200 -91.000 TYR 33 0.840 -1.072 5.951 1.773 -99.200 -91.000 HIS 34 0.900 -2.541 1.371 5.650 -99.200 -91.000 PHE 38 1.000 1.697 5.971 14.476 -99.200 -91.000 HIS 39 0.900 6.335 7.331 12.260 -99.200 -91.000 PHE 43 1.000 6.274 9.018 17.107 -99.200 -91.000 TYR 50 0.840 1.233 9.749 26.109 -99.200 -91.000 TYR 58 0.840 9.574 6.306 18.463 -99.200 -91.000 PHE 60 1.000 11.461 3.751 12.730 -99.200 -91.000 HIS 62 0.900 15.759 2.296 9.932 -99.200 -91.000 PHE 63 1.000 9.940 -6.180 9.349 -99.200 -91.000 TYR 67 0.840 18.135 0.080 -4.479 -99.200 -91.000 HIS 77 0.900 22.472 2.772 10.985 -99.200 -91.000 TYR 79 0.840 20.841 12.366 8.423 -99.200 -91.000 TYR 85 0.840 18.139 6.815 13.570 -99.200 -91.000 PHE 86 1.000 11.008 11.860 15.541 -99.200 -91.000 PHE 88 1.000 17.284 9.789 6.540 -99.200 -91.000 PHE 93 1.000 8.049 6.619 8.745 -99.200 -91.000 TRP 99 1.040 10.061 6.832 -1.490 -99.200 -91.000 TRP6 99 1.020 12.413 6.696 -1.307 -99.200 -91.000 TYR 101 0.840 5.717 5.485 -5.130 -99.200 -91.000 TYR 102 0.840 8.811 3.047 -15.570 -99.200 -91.000 PHE 124 1.000 23.100 10.251 -0.833 -99.200 -91.000 PHE 156 1.000 3.130 1.597 16.264 -99.200 -91.000 PHE 157 1.000 6.568 -5.952 19.710 -99.200 -91.000 TYR 166 0.840 7.943 -14.245 30.454 -99.200 -91.000 HIS 169 0.900 6.233 -12.417 20.996 -99.200 -91.000 HIS 174 0.900 -0.772 -2.089 21.697 -99.200 -91.000 TYR 177 0.840 -3.719 5.666 10.907 -99.200 -91.000 TYR 182 0.840 -4.962 0.819 20.036 -99.200 -91.000 PHE 183 1.000 -0.379 3.869 19.076 -99.200 -91.000 TYR 191 0.840 2.725 8.574 33.736 -99.200 -91.000