============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 32 1.000 26.861 -8.645 -0.834 -99.200 -91.000 HIS 33 0.900 29.241 -1.908 3.528 -99.200 -91.000 TRP 34 1.040 26.552 -8.710 5.836 -99.200 -91.000 TRP6 34 1.020 24.940 -10.053 4.753 -99.200 -91.000 TRP 36 1.040 21.803 -7.190 13.881 -99.200 -91.000 TRP6 36 1.020 20.590 -9.218 14.019 -99.200 -91.000 TYR 47 0.840 21.155 1.980 10.259 -99.200 -91.000 TYR 50 0.840 27.547 1.036 7.813 -99.200 -91.000 TYR 52 0.840 33.106 -3.711 3.699 -99.200 -91.000 TYR 53 0.840 34.947 -7.952 3.504 -99.200 -91.000 TYR 59 0.840 27.843 0.113 16.395 -99.200 -91.000 PHE 78 1.000 24.441 -9.436 10.310 -99.200 -91.000 TYR 92 0.840 15.421 -6.151 18.404 -99.200 -91.000 TYR 93 0.840 11.776 -7.695 10.459 -99.200 -91.000 PHE 98 1.000 19.589 -1.142 -1.624 -99.200 -91.000 TYR 101 0.840 33.445 2.640 0.464 -99.200 -91.000 HIS 102 0.900 29.922 9.393 -0.763 -99.200 -91.000 TYR 103 0.840 36.517 4.546 -3.264 -99.200 -91.000 PHE 108 1.000 26.882 0.756 2.675 -99.200 -91.000 PHE 113 1.000 18.325 -1.380 5.629 -99.200 -91.000 TRP 116 1.040 14.409 -6.495 4.333 -99.200 -91.000 TRP6 116 1.020 13.955 -5.026 6.128 -99.200 -91.000 PHE 135 1.000 -9.228 -0.173 38.306 -99.200 -91.000 TYR 158 0.840 -4.301 -8.517 30.203 -99.200 -91.000 PHE 159 1.000 3.904 -10.919 30.352 -99.200 -91.000 TRP 167 1.040 -19.923 -6.912 28.693 -99.200 -91.000 TRP6 167 1.020 -20.002 -5.271 30.382 -99.200 -91.000 HIS 177 0.900 -15.735 -3.570 19.340 -99.200 -91.000 PHE 179 1.000 -13.261 -1.332 21.506 -99.200 -91.000 TYR 189 0.840 0.141 -7.874 26.508 -99.200 -91.000 TYR 207 0.840 -26.974 -3.940 31.461 -99.200 -91.000 HIS 213 0.900 -4.060 -13.114 33.238 -99.200 -91.000