============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 13.971 51.381 0.506 -99.200 -91.000 TYR 14 0.840 26.325 56.070 3.467 -99.200 -91.000 TYR 22 0.840 17.775 60.609 24.022 -99.200 -91.000 HIS 23 0.900 18.709 57.751 16.245 -99.200 -91.000 PHE 24 1.000 22.025 62.984 19.956 -99.200 -91.000 TRP 34 1.040 38.101 63.701 11.829 -99.200 -91.000 TRP6 34 1.020 37.563 65.602 13.087 -99.200 -91.000 HIS 40 0.900 18.973 69.962 13.713 -99.200 -91.000 TYR 42 0.840 27.697 70.840 21.206 -99.200 -91.000 PHE 64 1.000 27.012 50.445 21.049 -99.200 -91.000 HIS 73 0.900 30.439 76.874 9.252 -99.200 -91.000 TYR 76 0.840 23.354 75.765 14.305 -99.200 -91.000 TRP 121 1.040 18.100 53.295 13.074 -99.200 -91.000 TRP6 121 1.020 20.321 53.852 12.553 -99.200 -91.000 TYR 131 0.840 10.612 58.722 17.043 -99.200 -91.000 TYR 152 0.840 10.236 74.557 3.235 -99.200 -91.000 PHE 161 1.000 20.395 69.162 -0.963 -99.200 -91.000 TYR 165 0.840 9.404 61.572 -3.617 -99.200 -91.000 TRP 193 1.040 15.536 73.990 7.510 -99.200 -91.000 TRP6 193 1.020 13.638 75.151 6.699 -99.200 -91.000 TYR 206 0.840 16.958 66.682 2.930 -99.200 -91.000 TYR 212 0.840 28.643 74.182 4.762 -99.200 -91.000 TRP 215 1.040 34.383 74.806 8.324 -99.200 -91.000 TRP6 215 1.020 33.183 73.120 9.451 -99.200 -91.000