============================================================================= 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. TRP 15 1.040 15.650 11.996 23.331 -99.200 -91.000 TRP6 15 1.020 14.565 13.992 24.040 -99.200 -91.000 TYR 19 0.840 11.875 23.711 12.603 -99.200 -91.000 PHE 34 1.000 28.456 21.110 14.927 -99.200 -91.000 TYR 37 0.840 18.692 13.943 8.957 -99.200 -91.000 PHE 38 1.000 20.981 15.013 18.342 -99.200 -91.000 PHE 43 1.000 19.143 13.266 28.602 -99.200 -91.000 PHE 52 1.000 24.288 15.127 22.611 -99.200 -91.000 TYR 53 0.840 24.916 6.253 21.428 -99.200 -91.000 PHE 54 1.000 26.092 13.202 16.057 -99.200 -91.000 TRP 62 1.040 23.047 9.218 4.893 -99.200 -91.000 TRP6 62 1.020 22.302 11.039 6.215 -99.200 -91.000 HIS 66 0.900 29.430 7.513 22.197 -99.200 -91.000 TYR 77 0.840 25.271 18.250 30.159 -99.200 -91.000 TYR 81 0.840 30.523 16.232 15.607 -99.200 -91.000 PHE 87 1.000 23.675 20.009 24.469 -99.200 -91.000 HIS 96 0.900 10.441 20.688 25.573 -99.200 -91.000 HIS 100 0.900 23.839 29.097 22.729 -99.200 -91.000 HIS 107 0.900 41.519 25.651 10.079 -99.200 -91.000 PHE 117 1.000 18.447 18.264 18.919 -99.200 -91.000 PHE 130 1.000 2.654 -4.951 17.812 -99.200 -91.000 TRP 131 1.040 4.368 -7.037 22.450 -99.200 -91.000 TRP6 131 1.020 5.353 -8.199 20.638 -99.200 -91.000 PHE 147 1.000 9.132 -1.996 10.270 -99.200 -91.000 HIS 153 0.900 20.436 0.460 17.409 -99.200 -91.000 HIS 155 0.900 22.466 -0.727 6.928 -99.200 -91.000