============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 32 0.840 31.250 11.132 -11.626 -99.200 -91.000 TRP 35 1.040 23.948 21.383 -10.324 -99.200 -91.000 TRP6 35 1.020 24.016 23.433 -9.129 -99.200 -91.000 TYR 36 0.840 18.704 16.392 -5.443 -99.200 -91.000 PHE 39 1.000 8.611 24.122 -8.636 -99.200 -91.000 TYR 49 0.840 21.964 11.281 -14.374 -99.200 -91.000 PHE 62 1.000 15.619 23.144 -16.035 -99.200 -91.000 TYR 86 0.840 16.171 25.997 -9.910 -99.200 -91.000 PHE 87 1.000 18.792 20.511 -2.737 -99.200 -91.000 TRP 91 1.040 30.643 10.445 -3.102 -99.200 -91.000 TRP6 91 1.020 29.696 10.501 -5.268 -99.200 -91.000 TRP 99 1.040 24.145 11.196 -0.238 -99.200 -91.000 TRP6 99 1.020 24.409 11.326 -2.603 -99.200 -91.000 PHE 101 1.000 22.527 17.307 0.915 -99.200 -91.000 PHE 122 1.000 7.779 51.815 14.629 -99.200 -91.000 PHE 143 1.000 12.168 42.720 0.916 -99.200 -91.000 TYR 144 0.840 9.508 40.677 -7.846 -99.200 -91.000 TRP 152 1.040 20.497 46.107 12.938 -99.200 -91.000 TRP6 152 1.020 18.832 47.582 13.748 -99.200 -91.000 TYR 176 0.840 9.194 37.665 -1.784 -99.200 -91.000 TYR 181 0.840 12.146 42.148 15.938 -99.200 -91.000 TRP 189 1.040 17.803 54.068 23.809 -99.200 -91.000 TRP6 189 1.020 17.636 54.391 21.470 -99.200 -91.000 HIS 192 0.900 27.816 53.439 20.870 -99.200 -91.000 TYR 195 0.840 22.308 52.170 19.038 -99.200 -91.000 HIS 201 0.900 15.361 45.117 -3.397 -99.200 -91.000