============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 7 0.900 37.195 18.368 10.535 -99.200 -91.000 TYR 8 0.840 28.885 19.462 14.360 -99.200 -91.000 TYR 20 0.840 18.930 4.493 8.082 -99.200 -91.000 HIS 23 0.900 24.611 14.085 0.891 -99.200 -91.000 PHE 35 1.000 26.570 6.704 23.498 -99.200 -91.000 TYR 44 0.840 22.473 2.552 13.386 -99.200 -91.000 HIS 49 0.900 24.837 0.324 10.006 -99.200 -91.000 TYR 65 0.840 15.831 -6.225 14.493 -99.200 -91.000 PHE 69 1.000 21.246 -4.609 19.406 -99.200 -91.000 HIS 85 0.900 16.194 17.943 27.396 -99.200 -91.000 TYR 86 0.840 21.511 8.602 27.598 -99.200 -91.000 HIS 107 0.900 5.949 13.085 14.089 -99.200 -91.000 TYR 118 0.840 17.153 19.971 20.965 -99.200 -91.000 TYR 131 0.840 17.114 16.731 -0.457 -99.200 -91.000 PHE 134 1.000 16.969 22.914 8.591 -99.200 -91.000 PHE 143 1.000 26.760 30.955 10.099 -99.200 -91.000 TYR 146 0.840 29.708 25.862 -2.220 -99.200 -91.000 PHE 156 1.000 13.451 29.239 14.827 -99.200 -91.000 PHE 167 1.000 22.876 38.573 -5.678 -99.200 -91.000 TYR 168 0.840 18.737 38.172 -3.329 -99.200 -91.000 PHE 173 1.000 15.221 37.763 6.522 -99.200 -91.000 TRP 176 1.040 8.329 29.816 9.446 -99.200 -91.000 TRP6 176 1.020 7.181 27.742 9.405 -99.200 -91.000 TRP 177 1.040 7.294 34.238 2.691 -99.200 -91.000 TRP6 177 1.020 8.002 36.149 1.488 -99.200 -91.000 PHE 189 1.000 27.032 32.566 5.544 -99.200 -91.000 HIS 192 0.900 28.093 41.602 11.856 -99.200 -91.000 TYR 197 0.840 21.322 34.065 13.485 -99.200 -91.000 PHE 200 1.000 18.920 23.349 4.336 -99.200 -91.000 TYR 203 0.840 24.531 18.142 2.258 -99.200 -91.000