============================================================================= 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 12 0.840 27.554 6.859 24.844 -99.200 -91.000 TYR 17 0.840 29.953 11.850 20.868 -99.200 -91.000 PHE 19 1.000 31.421 17.328 17.027 -99.200 -91.000 TYR 26 0.840 38.816 22.510 -0.880 -99.200 -91.000 PHE 36 1.000 25.965 12.390 -12.291 -99.200 -91.000 PHE 43 1.000 29.971 0.773 -15.639 -99.200 -91.000 HIS 59 0.900 20.884 11.381 24.355 -99.200 -91.000 HIS 61 0.900 17.570 18.713 25.616 -99.200 -91.000 HIS 65 0.900 19.215 15.825 17.620 -99.200 -91.000 PHE 75 1.000 25.287 17.684 -1.469 -99.200 -91.000 PHE 76 1.000 22.315 20.193 5.095 -99.200 -91.000 TRP 111 1.040 36.396 5.547 12.587 -99.200 -91.000 TRP6 111 1.020 35.166 7.463 13.214 -99.200 -91.000 TRP 120 1.040 19.478 4.316 -0.590 -99.200 -91.000 TRP6 120 1.020 17.529 5.380 -1.417 -99.200 -91.000 TRP 121 1.040 22.558 -1.574 -6.090 -99.200 -91.000 TRP6 121 1.020 21.338 -2.392 -4.245 -99.200 -91.000 PHE 125 1.000 28.064 5.929 -16.396 -99.200 -91.000 TYR 130 0.840 15.520 4.742 -8.952 -99.200 -91.000 TYR 132 0.840 13.759 -0.194 -6.156 -99.200 -91.000 HIS 136 0.900 13.346 -6.199 -16.864 -99.200 -91.000 HIS 143 0.900 26.057 -1.902 -3.279 -99.200 -91.000 PHE 147 1.000 28.659 -0.741 5.874 -99.200 -91.000 PHE 157 1.000 33.689 12.278 16.166 -99.200 -91.000 TYR 163 0.840 33.466 18.302 3.803 -99.200 -91.000 PHE 171 1.000 12.521 17.687 14.989 -99.200 -91.000 TYR 174 0.840 8.433 10.649 8.338 -99.200 -91.000 TYR 180 0.840 18.098 17.759 5.487 -99.200 -91.000 PHE 194 1.000 19.800 -0.082 13.933 -99.200 -91.000 PHE 196 1.000 18.714 4.412 17.741 -99.200 -91.000 TYR 198 0.840 17.148 7.844 23.295 -99.200 -91.000