============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 18.009 -4.886 70.654 -99.200 -91.000 PHE 29 1.000 12.971 -9.036 72.803 -99.200 -91.000 PHE 32 1.000 18.922 -1.397 75.181 -99.200 -91.000 HIS 35 0.900 8.321 2.439 74.929 -99.200 -91.000 TRP 36 1.040 4.392 -3.019 70.129 -99.200 -91.000 TRP6 36 1.020 4.712 -4.036 68.015 -99.200 -91.000 TRP 47 1.040 4.208 5.277 73.817 -99.200 -91.000 TRP6 47 1.020 3.222 4.835 75.923 -99.200 -91.000 TRP 50 1.040 5.832 0.749 78.821 -99.200 -91.000 TRP6 50 1.020 7.295 -0.492 80.212 -99.200 -91.000 TYR 60 0.840 -1.953 -3.481 76.413 -99.200 -91.000 PHE 64 1.000 -3.628 2.842 70.176 -99.200 -91.000 PHE 68 1.000 -5.459 -1.794 69.299 -99.200 -91.000 PHE 70 1.000 1.473 -3.169 73.305 -99.200 -91.000 TYR 80 0.840 5.478 -12.840 68.201 -99.200 -91.000 TYR 94 0.840 -1.209 -0.790 63.802 -99.200 -91.000 PHE 95 1.000 6.379 3.426 61.773 -99.200 -91.000 PHE 99 1.000 11.708 5.284 76.427 -99.200 -91.000 TYR 104 0.840 17.738 8.898 72.411 -99.200 -91.000 PHE 105 1.000 9.935 5.547 71.320 -99.200 -91.000 TRP 108 1.040 12.089 5.024 65.574 -99.200 -91.000 TRP6 108 1.020 9.843 5.600 66.056 -99.200 -91.000 TYR 127 0.840 -2.366 -1.721 30.676 -99.200 -91.000 TYR 148 0.840 -2.056 -1.220 42.763 -99.200 -91.000 PHE 149 1.000 -7.964 -3.365 48.239 -99.200 -91.000 TRP 157 1.040 11.505 3.486 36.254 -99.200 -91.000 TRP6 157 1.020 10.420 3.228 34.171 -99.200 -91.000 HIS 167 0.900 9.661 13.233 39.344 -99.200 -91.000 PHE 169 1.000 3.902 11.306 39.148 -99.200 -91.000 TYR 178 0.840 -5.291 1.406 46.644 -99.200 -91.000 TRP 191 1.040 14.466 4.051 25.641 -99.200 -91.000 TRP6 191 1.020 12.834 4.927 24.171 -99.200 -91.000 HIS 202 0.900 -0.735 -6.227 44.257 -99.200 -91.000