============================================================================= 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. TYR 5 0.840 37.027 -1.492 14.921 -99.200 -91.000 TYR 14 0.840 25.778 -1.555 7.713 -99.200 -91.000 TYR 22 0.840 31.957 18.921 -0.705 -99.200 -91.000 HIS 23 0.900 32.131 11.510 3.812 -99.200 -91.000 PHE 24 1.000 26.857 15.754 1.607 -99.200 -91.000 TRP 34 1.040 13.684 4.051 -1.645 -99.200 -91.000 TRP6 34 1.020 12.985 6.281 -1.412 -99.200 -91.000 HIS 40 0.900 23.206 16.794 10.898 -99.200 -91.000 TYR 42 0.840 17.845 19.371 1.091 -99.200 -91.000 PHE 64 1.000 32.174 6.697 -7.354 -99.200 -91.000 HIS 73 0.900 9.791 12.729 10.385 -99.200 -91.000 TYR 76 0.840 16.011 18.604 10.324 -99.200 -91.000 TRP 121 1.040 35.022 6.954 4.674 -99.200 -91.000 TRP6 121 1.020 32.991 6.014 3.977 -99.200 -91.000 TYR 131 0.840 37.553 15.827 8.615 -99.200 -91.000 TYR 152 0.840 24.630 15.951 25.020 -99.200 -91.000 PHE 161 1.000 20.314 5.383 19.831 -99.200 -91.000 TYR 165 0.840 32.758 3.413 25.023 -99.200 -91.000 TRP 193 1.040 21.906 16.147 18.777 -99.200 -91.000 TRP6 193 1.020 22.286 17.024 20.930 -99.200 -91.000 TYR 206 0.840 25.059 8.039 17.998 -99.200 -91.000 TYR 212 0.840 12.063 9.045 13.232 -99.200 -91.000 TRP 215 1.040 8.376 9.456 7.055 -99.200 -91.000 TRP6 215 1.020 10.698 9.644 6.832 -99.200 -91.000