============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 3 1.000 19.216 43.142 26.722 -99.200 -91.000 PHE 13 1.000 12.851 63.917 30.731 -99.200 -91.000 PHE 14 1.000 11.020 58.035 27.241 -99.200 -91.000 TRP 19 1.040 7.096 49.121 29.320 -99.200 -91.000 TRP6 19 1.020 6.361 49.344 31.538 -99.200 -91.000 PHE 30 1.000 33.386 50.214 30.294 -99.200 -91.000 TYR 35 0.840 18.882 54.021 25.236 -99.200 -91.000 PHE 39 1.000 10.591 54.100 21.993 -99.200 -91.000 HIS 46 0.900 8.122 64.786 25.601 -99.200 -91.000 TRP 47 1.040 10.067 67.123 17.975 -99.200 -91.000 TRP6 47 1.020 10.930 66.448 15.880 -99.200 -91.000 HIS 48 0.900 15.703 62.640 22.334 -99.200 -91.000 HIS 50 0.900 21.060 61.818 23.763 -99.200 -91.000 PHE 64 1.000 7.188 55.230 11.274 -99.200 -91.000 TYR 65 0.840 16.903 59.150 13.547 -99.200 -91.000 HIS 89 0.900 17.542 62.214 18.245 -99.200 -91.000 TRP 90 1.040 9.991 62.153 15.884 -99.200 -91.000 TRP6 90 1.020 8.733 60.179 15.579 -99.200 -91.000 HIS 91 0.900 14.799 56.909 19.789 -99.200 -91.000 HIS 101 0.900 16.025 52.016 20.389 -99.200 -91.000 HIS 109 0.900 33.565 63.742 26.982 -99.200 -91.000 TRP 115 1.040 15.339 65.009 27.523 -99.200 -91.000 TRP6 115 1.020 14.446 63.244 26.233 -99.200 -91.000 TYR 124 0.840 3.284 58.433 16.021 -99.200 -91.000