============================================================================= 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. TRP 9 1.040 9.998 15.825 5.301 -99.200 -91.000 TRP6 9 1.020 9.149 15.249 3.199 -99.200 -91.000 TYR 10 0.840 5.673 12.157 11.220 -99.200 -91.000 PHE 17 1.000 14.810 14.726 7.515 -99.200 -91.000 TYR 31 0.840 16.222 10.570 11.678 -99.200 -91.000 TYR 42 0.840 20.174 10.991 19.124 -99.200 -91.000 TYR 48 0.840 18.110 22.652 -0.538 -99.200 -91.000 TRP 63 1.040 19.361 13.404 7.348 -99.200 -91.000 TRP6 63 1.020 17.891 12.874 5.583 -99.200 -91.000 TRP 67 1.040 22.895 7.495 15.101 -99.200 -91.000 TRP6 67 1.020 20.640 8.172 15.057 -99.200 -91.000 TYR 71 0.840 18.113 13.567 26.866 -99.200 -91.000 HIS 75 0.900 30.673 5.914 22.170 -99.200 -91.000 TRP 80 1.040 18.734 8.544 6.713 -99.200 -91.000 TRP6 80 1.020 19.564 9.159 8.825 -99.200 -91.000 TYR 84 0.840 11.033 17.469 -2.048 -99.200 -91.000 TRP 96 1.040 19.226 3.708 6.420 -99.200 -91.000 TRP6 96 1.020 20.298 2.116 7.774 -99.200 -91.000 TRP 108 1.040 35.278 -7.960 10.209 -99.200 -91.000 TRP6 108 1.020 33.360 -9.130 9.523 -99.200 -91.000 HIS 115 0.900 15.232 -0.267 1.715 -99.200 -91.000 PHE 118 1.000 13.271 9.698 6.249 -99.200 -91.000