============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 176.152 115.729 -21.867 -99.200 -91.000 PHE 5 1.000 182.683 115.271 -29.391 -99.200 -91.000 TYR 28 0.840 189.257 104.023 -4.641 -99.200 -91.000 TYR 44 0.840 195.657 86.784 1.210 -99.200 -91.000 TYR 48 0.840 198.673 81.967 7.449 -99.200 -91.000 TYR 50 0.840 187.274 80.913 9.187 -99.200 -91.000 HIS 51 0.900 194.942 76.614 4.358 -99.200 -91.000 PHE 54 1.000 192.835 71.258 6.262 -99.200 -91.000 TYR 56 0.840 193.089 71.097 17.316 -99.200 -91.000 PHE 57 1.000 188.589 71.436 15.055 -99.200 -91.000 PHE 70 1.000 182.298 75.967 8.696 -99.200 -91.000 PHE 71 1.000 186.585 75.590 11.599 -99.200 -91.000 HIS 81 0.900 184.266 86.222 1.586 -99.200 -91.000 TYR 88 0.840 185.494 98.590 -5.473 -99.200 -91.000 PHE 108 1.000 192.659 76.849 16.322 -99.200 -91.000 HIS 110 0.900 187.836 76.108 26.383 -99.200 -91.000 HIS 118 0.900 188.436 77.604 22.102 -99.200 -91.000 HIS 138 0.900 178.185 101.564 4.302 -99.200 -91.000 PHE 152 1.000 183.266 95.631 -3.881 -99.200 -91.000 TYR 157 0.840 183.353 91.879 0.368 -99.200 -91.000 TYR 171 0.840 177.564 75.181 10.971 -99.200 -91.000 HIS 182 0.900 176.413 58.751 19.825 -99.200 -91.000 TRP 185 1.040 181.948 60.408 15.171 -99.200 -91.000 TRP6 185 1.020 180.102 59.128 14.446 -99.200 -91.000 HIS 186 0.900 174.026 62.011 14.926 -99.200 -91.000 PHE 187 1.000 177.630 70.543 14.353 -99.200 -91.000 HIS 193 0.900 178.314 62.412 5.290 -99.200 -91.000