============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TYR 3 0.840 -6.797 18.736 62.974 -99.200 -91.000 TYR 8 0.840 2.335 25.133 75.389 -99.200 -91.000 TYR 10 0.840 6.360 24.006 80.609 -99.200 -91.000 TRP 33 1.040 16.884 23.914 77.590 -99.200 -91.000 TRP6 33 1.020 15.803 25.958 78.031 -99.200 -91.000 HIS 34 0.900 8.413 19.228 81.136 -99.200 -91.000 HIS 40 0.900 -5.786 17.106 67.003 -99.200 -91.000 PHE 44 1.000 -2.152 15.093 74.254 -99.200 -91.000 PHE 45 1.000 2.324 16.041 81.584 -99.200 -91.000 PHE 46 1.000 7.716 8.532 79.654 -99.200 -91.000 PHE 80 1.000 -1.203 13.052 69.811 -99.200 -91.000 TYR 83 0.840 2.131 8.195 68.146 -99.200 -91.000 PHE 92 1.000 8.059 7.189 74.896 -99.200 -91.000 TYR 97 0.840 11.195 10.564 83.560 -99.200 -91.000 PHE 100 1.000 21.117 12.023 84.254 -99.200 -91.000 HIS 102 0.900 12.346 5.840 76.757 -99.200 -91.000 PHE 107 1.000 4.900 11.797 74.989 -99.200 -91.000 PHE 114 1.000 2.105 8.939 64.519 -99.200 -91.000 TYR 123 0.840 17.668 24.489 72.458 -99.200 -91.000 PHE 136 1.000 25.758 18.633 89.629 -99.200 -91.000