============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 7 0.840 -29.608 34.832 49.903 -99.200 -91.000 TYR 12 0.840 -40.284 39.935 50.399 -99.200 -91.000 TYR 19 0.840 -41.940 36.816 64.565 -99.200 -91.000 TRP 23 1.040 -37.702 35.700 68.444 -99.200 -91.000 TRP6 23 1.020 -36.712 36.435 66.432 -99.200 -91.000 PHE 30 1.000 -35.534 28.945 79.825 -99.200 -91.000 TYR 44 0.840 -17.235 31.069 73.012 -99.200 -91.000 HIS 50 0.900 -14.260 35.397 72.122 -99.200 -91.000 PHE 52 1.000 -20.660 27.710 77.596 -99.200 -91.000 PHE 55 1.000 -30.412 28.751 79.294 -99.200 -91.000 PHE 65 1.000 -30.815 21.993 71.160 -99.200 -91.000 PHE 67 1.000 -31.086 28.065 68.607 -99.200 -91.000 HIS 69 0.900 -27.286 34.581 68.017 -99.200 -91.000 TYR 72 0.840 -29.053 37.067 56.527 -99.200 -91.000 TRP 73 1.040 -22.463 34.046 59.790 -99.200 -91.000 TRP6 73 1.020 -23.488 33.863 57.697 -99.200 -91.000 PHE 75 1.000 -31.649 39.526 66.368 -99.200 -91.000 TRP 80 1.040 -31.284 34.028 69.963 -99.200 -91.000 TRP6 80 1.020 -32.804 34.541 68.224 -99.200 -91.000 HIS 82 0.900 -37.649 32.508 73.294 -99.200 -91.000 TRP 92 1.040 -31.831 15.756 75.200 -99.200 -91.000 TRP6 92 1.020 -29.955 14.965 74.018 -99.200 -91.000 TYR 98 0.840 -22.675 34.128 66.504 -99.200 -91.000 HIS 133 0.900 -33.616 31.163 62.762 -99.200 -91.000 HIS 138 0.900 -21.296 29.187 58.233 -99.200 -91.000 PHE 179 1.000 -21.989 38.402 55.607 -99.200 -91.000 TYR 196 0.840 -15.503 15.213 63.655 -99.200 -91.000 TRP 203 1.040 -37.647 22.183 60.826 -99.200 -91.000 TRP6 203 1.020 -38.584 20.215 61.735 -99.200 -91.000 PHE 212 1.000 -32.540 32.237 54.382 -99.200 -91.000 TRP 218 1.040 -28.569 24.916 45.964 -99.200 -91.000 TRP6 218 1.020 -28.412 27.250 46.249 -99.200 -91.000 TRP 223 1.040 -23.031 18.092 53.549 -99.200 -91.000 TRP6 223 1.020 -23.096 18.975 55.726 -99.200 -91.000 HIS 227 0.900 -35.508 19.386 52.113 -99.200 -91.000 PHE 231 1.000 -49.559 23.640 56.100 -99.200 -91.000 HIS 234 0.900 -42.761 33.751 59.646 -99.200 -91.000 HIS 235 0.900 -34.644 32.717 58.211 -99.200 -91.000 PHE 236 1.000 -37.542 37.253 61.132 -99.200 -91.000