============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 29 0.840 7.596 29.194 -4.071 -99.200 -91.000 PHE 36 1.000 13.067 37.898 0.134 -99.200 -91.000 TYR 57 0.840 14.802 20.433 10.326 -99.200 -91.000 PHE 60 1.000 22.400 28.610 5.032 -99.200 -91.000 PHE 66 1.000 16.924 37.933 13.907 -99.200 -91.000 HIS 71 0.900 14.085 19.446 5.735 -99.200 -91.000 TYR 77 0.840 21.022 26.256 0.053 -99.200 -91.000 HIS 89 0.900 11.379 24.031 -11.584 -99.200 -91.000 HIS 91 0.900 11.779 27.952 -6.168 -99.200 -91.000 PHE 95 1.000 27.583 34.480 -0.743 -99.200 -91.000 TYR 102 0.840 16.488 26.020 -1.754 -99.200 -91.000 PHE 108 1.000 7.422 18.521 -2.253 -99.200 -91.000 TRP 111 1.040 16.196 29.351 2.797 -99.200 -91.000 TRP6 111 1.020 17.308 31.334 2.145 -99.200 -91.000 TYR 122 0.840 12.807 24.917 13.683 -99.200 -91.000 PHE 123 1.000 16.800 22.092 14.819 -99.200 -91.000 TYR 134 0.840 29.355 3.977 17.369 -99.200 -91.000 PHE 137 1.000 20.472 5.746 17.756 -99.200 -91.000 PHE 142 1.000 17.144 2.429 18.180 -99.200 -91.000 TYR 156 0.840 8.902 4.728 16.579 -99.200 -91.000 TYR 170 0.840 22.046 7.300 3.255 -99.200 -91.000 TRP 176 1.040 20.385 -6.394 2.630 -99.200 -91.000 TRP6 176 1.020 22.752 -6.248 2.700 -99.200 -91.000 HIS 181 0.900 9.715 -7.719 5.703 -99.200 -91.000 HIS 195 0.900 24.991 -3.872 20.303 -99.200 -91.000 HIS 198 0.900 23.217 2.329 19.032 -99.200 -91.000 TYR 223 0.840 16.730 4.360 -2.814 -99.200 -91.000 HIS 248 0.900 13.941 0.178 -3.169 -99.200 -91.000 PHE 249 1.000 11.089 -6.933 1.294 -99.200 -91.000