============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 2 1.000 5.383 3.599 43.438 -99.200 -91.000 TRP 6 1.040 8.298 3.022 37.983 -99.200 -91.000 TRP6 6 1.020 7.073 4.955 38.566 -99.200 -91.000 HIS 7 0.900 8.672 6.615 43.124 -99.200 -91.000 TYR 9 0.840 16.380 4.411 36.494 -99.200 -91.000 PHE 24 1.000 6.611 5.075 27.250 -99.200 -91.000 PHE 33 1.000 1.574 6.441 40.050 -99.200 -91.000 TYR 35 0.840 -2.006 7.288 51.508 -99.200 -91.000 TRP 43 1.040 5.302 7.057 33.369 -99.200 -91.000 TRP6 43 1.020 5.038 8.912 31.934 -99.200 -91.000 TYR 67 0.840 5.844 -4.057 36.584 -99.200 -91.000 TYR 68 0.840 1.002 -0.805 31.195 -99.200 -91.000 HIS 72 0.900 -6.714 1.087 31.666 -99.200 -91.000 PHE 73 1.000 -0.471 2.871 27.101 -99.200 -91.000 TYR 80 0.840 -0.154 -3.125 25.612 -99.200 -91.000 PHE 99 1.000 12.073 -3.214 20.121 -99.200 -91.000 PHE 106 1.000 2.660 -2.019 17.467 -99.200 -91.000 HIS 118 0.900 6.244 -0.073 29.226 -99.200 -91.000 HIS 121 0.900 13.717 -0.352 36.738 -99.200 -91.000 TYR 128 0.840 20.547 -6.261 23.332 -99.200 -91.000 TYR 133 0.840 13.668 0.057 14.568 -99.200 -91.000 HIS 136 0.900 17.624 -5.269 10.623 -99.200 -91.000 PHE 149 1.000 17.884 3.923 25.541 -99.200 -91.000 HIS 155 0.900 17.817 8.470 33.983 -99.200 -91.000 TYR 162 0.840 20.435 -6.604 28.580 -99.200 -91.000