============================================================================= 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. TYR 4 0.840 127.450 48.283 -36.534 -99.200 -91.000 TYR 6 0.840 134.186 55.209 -36.930 -99.200 -91.000 PHE 17 1.000 143.583 37.965 -26.839 -99.200 -91.000 PHE 37 1.000 121.504 24.369 8.132 -99.200 -91.000 TRP 69 1.040 133.996 21.978 4.602 -99.200 -91.000 TRP6 69 1.020 132.751 21.928 6.611 -99.200 -91.000 PHE 80 1.000 123.412 29.930 10.213 -99.200 -91.000 TYR 96 0.840 121.189 33.426 28.570 -99.200 -91.000 PHE 113 1.000 140.124 22.179 11.420 -99.200 -91.000 PHE 127 1.000 119.487 29.169 20.573 -99.200 -91.000 HIS 130 0.900 108.419 32.880 20.250 -99.200 -91.000 TYR 141 0.840 106.134 44.392 18.186 -99.200 -91.000 HIS 158 0.900 127.124 33.127 19.842 -99.200 -91.000 HIS 188 0.900 134.828 39.174 24.805 -99.200 -91.000 TYR 196 0.840 122.600 37.385 9.085 -99.200 -91.000 TYR 200 0.840 114.998 43.177 1.566 -99.200 -91.000 TYR 204 0.840 113.432 33.475 -3.248 -99.200 -91.000 TYR 205 0.840 114.745 34.371 4.964 -99.200 -91.000 PHE 208 1.000 118.487 28.951 8.929 -99.200 -91.000 TYR 226 0.840 111.077 39.592 13.496 -99.200 -91.000 HIS 238 0.900 117.036 56.108 5.156 -99.200 -91.000 TYR 259 0.840 115.457 40.363 -1.517 -99.200 -91.000 PHE 270 1.000 125.413 53.154 3.485 -99.200 -91.000 PHE 275 1.000 131.467 39.999 4.263 -99.200 -91.000 TYR 277 0.840 122.942 32.702 4.725 -99.200 -91.000 TYR 283 0.840 122.501 23.665 -1.689 -99.200 -91.000 HIS 286 0.900 120.622 28.656 -8.187 -99.200 -91.000 TRP 294 1.040 114.414 20.076 -15.354 -99.200 -91.000 TRP6 294 1.020 112.805 20.719 -13.745 -99.200 -91.000 PHE 307 1.000 125.018 35.863 -4.535 -99.200 -91.000 TYR 318 0.840 123.111 26.809 3.219 -99.200 -91.000 PHE 319 1.000 124.966 25.492 -5.026 -99.200 -91.000