============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 7 1.000 8.402 -3.269 20.247 -99.200 -91.000 PHE 27 1.000 19.558 -1.278 20.231 -99.200 -91.000 PHE 32 1.000 22.144 -3.113 14.849 -99.200 -91.000 PHE 39 1.000 7.742 8.693 27.417 -99.200 -91.000 HIS 46 0.900 -0.310 -1.937 22.267 -99.200 -91.000 HIS 50 0.900 4.929 -7.202 23.669 -99.200 -91.000 TYR 51 0.840 4.330 -8.965 28.059 -99.200 -91.000 PHE 59 1.000 4.550 -15.209 33.535 -99.200 -91.000 PHE 60 1.000 -1.821 -11.925 30.377 -99.200 -91.000 TYR 66 0.840 7.303 -3.270 36.115 -99.200 -91.000 TRP 77 1.040 16.633 0.721 17.499 -99.200 -91.000 TRP6 77 1.020 18.127 2.519 17.088 -99.200 -91.000 PHE 107 1.000 23.528 1.349 31.610 -99.200 -91.000 HIS 117 0.900 10.386 -7.390 23.813 -99.200 -91.000 TRP 132 1.040 4.311 -3.150 21.063 -99.200 -91.000 TRP6 132 1.020 4.256 -1.939 23.074 -99.200 -91.000 PHE 133 1.000 6.600 1.806 16.622 -99.200 -91.000 TYR 141 0.840 16.302 7.413 8.594 -99.200 -91.000 HIS 146 0.900 23.353 1.050 3.745 -99.200 -91.000 TRP 148 1.040 31.873 5.591 4.516 -99.200 -91.000 TRP6 148 1.020 33.910 4.942 3.547 -99.200 -91.000 TYR 150 0.840 24.709 -2.709 6.708 -99.200 -91.000