============================================================================= 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. TYR 16 0.840 69.908 8.017 20.562 -99.200 -91.000 HIS 23 0.900 89.452 8.866 19.139 -99.200 -91.000 TYR 32 0.840 81.827 11.371 14.089 -99.200 -91.000 TYR 35 0.840 70.898 1.887 19.516 -99.200 -91.000 HIS 46 0.900 73.157 -8.046 9.559 -99.200 -91.000 PHE 49 1.000 75.029 0.497 3.552 -99.200 -91.000 TYR 51 0.840 79.169 2.820 7.525 -99.200 -91.000 TYR 61 0.840 67.022 15.076 16.415 -99.200 -91.000 TRP 71 1.040 60.442 18.855 4.094 -99.200 -91.000 TRP6 71 1.020 59.547 17.989 6.102 -99.200 -91.000 TYR 80 0.840 65.225 20.150 -0.017 -99.200 -91.000 PHE 102 1.000 60.680 8.167 9.016 -99.200 -91.000 PHE 106 1.000 66.798 3.183 15.251 -99.200 -91.000 TYR 135 0.840 54.930 23.887 30.563 -99.200 -91.000 PHE 146 1.000 52.118 14.832 21.518 -99.200 -91.000 PHE 147 1.000 53.644 18.935 24.185 -99.200 -91.000 PHE 155 1.000 49.029 15.533 25.769 -99.200 -91.000 TRP 159 1.040 50.835 25.101 20.158 -99.200 -91.000 TRP6 159 1.020 53.158 25.045 19.718 -99.200 -91.000 TYR 161 0.840 54.098 28.293 29.385 -99.200 -91.000 PHE 170 1.000 58.995 26.531 21.768 -99.200 -91.000 TYR 188 0.840 63.256 24.883 30.518 -99.200 -91.000 TYR 190 0.840 64.415 19.695 26.814 -99.200 -91.000 TYR 199 0.840 73.371 8.937 27.991 -99.200 -91.000 TYR 220 0.840 64.458 7.698 18.620 -99.200 -91.000 TRP 254 1.040 76.352 2.364 22.836 -99.200 -91.000 TRP6 254 1.020 78.352 3.605 23.070 -99.200 -91.000 TRP 255 1.040 69.614 4.698 27.060 -99.200 -91.000 TRP6 255 1.020 70.104 4.642 24.750 -99.200 -91.000 TYR 256 0.840 68.767 1.216 31.015 -99.200 -91.000