============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 15 0.840 -8.709 5.981 18.536 -99.200 -91.000 TYR 18 0.840 -4.272 2.732 32.929 -99.200 -91.000 TYR 26 0.840 3.178 -6.668 37.534 -99.200 -91.000 PHE 31 1.000 -0.616 0.951 29.000 -99.200 -91.000 TYR 34 0.840 -7.802 1.217 15.214 -99.200 -91.000 PHE 48 1.000 7.903 -2.916 15.923 -99.200 -91.000 TYR 50 0.840 4.547 -3.566 20.932 -99.200 -91.000 TYR 60 0.840 -3.916 13.208 21.798 -99.200 -91.000 TRP 69 1.040 6.828 21.361 17.924 -99.200 -91.000 TRP6 69 1.020 4.657 20.950 17.084 -99.200 -91.000 HIS 79 0.900 15.760 11.124 17.072 -99.200 -91.000 TYR 92 0.840 2.284 23.712 6.729 -99.200 -91.000 PHE 100 1.000 2.018 12.940 11.837 -99.200 -91.000 PHE 104 1.000 -3.857 4.985 13.015 -99.200 -91.000 TYR 113 0.840 -24.456 21.644 25.087 -99.200 -91.000 TYR 133 0.840 -17.224 28.456 21.554 -99.200 -91.000 PHE 144 1.000 -10.117 23.824 11.965 -99.200 -91.000 PHE 145 1.000 -12.120 25.531 16.336 -99.200 -91.000 TYR 153 0.840 -14.582 26.966 11.430 -99.200 -91.000 TRP 157 1.040 -7.005 31.087 18.882 -99.200 -91.000 TRP6 157 1.020 -6.565 29.280 20.348 -99.200 -91.000 PHE 159 1.000 -16.175 31.811 24.595 -99.200 -91.000 TYR 184 0.840 -16.421 23.019 27.520 -99.200 -91.000 TYR 195 0.840 -15.788 4.201 22.604 -99.200 -91.000 TYR 215 0.840 -7.161 9.935 14.715 -99.200 -91.000 TYR 225 0.840 12.588 0.971 13.362 -99.200 -91.000 HIS 243 0.900 -14.858 -2.511 7.659 -99.200 -91.000 TRP 249 1.040 -10.365 -2.459 19.571 -99.200 -91.000 TRP6 249 1.020 -10.321 -3.010 21.874 -99.200 -91.000 TRP 250 1.040 -15.412 3.781 17.107 -99.200 -91.000 TRP6 250 1.020 -13.067 3.474 17.059 -99.200 -91.000