============================================================================= 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 60.250 -1.292 18.141 -99.200 -91.000 TYR 14 0.840 55.571 11.052 21.362 -99.200 -91.000 TYR 22 0.840 50.811 2.199 41.809 -99.200 -91.000 HIS 23 0.900 53.712 3.342 33.991 -99.200 -91.000 PHE 24 1.000 48.355 6.380 37.716 -99.200 -91.000 TRP 34 1.040 47.776 22.808 29.768 -99.200 -91.000 TRP6 34 1.020 45.817 22.272 30.966 -99.200 -91.000 HIS 40 0.900 41.514 3.523 31.106 -99.200 -91.000 TYR 42 0.840 40.542 11.995 38.866 -99.200 -91.000 PHE 64 1.000 61.124 11.446 38.938 -99.200 -91.000 HIS 73 0.900 34.498 15.074 26.869 -99.200 -91.000 TYR 76 0.840 35.529 8.066 31.783 -99.200 -91.000 TRP 121 1.040 58.173 2.567 30.779 -99.200 -91.000 TRP6 121 1.020 57.615 4.805 30.318 -99.200 -91.000 TYR 131 0.840 52.470 -4.990 34.517 -99.200 -91.000 TYR 152 0.840 36.870 -5.189 20.667 -99.200 -91.000 PHE 161 1.000 42.568 5.169 16.572 -99.200 -91.000 TYR 165 0.840 50.124 -5.838 13.866 -99.200 -91.000 TRP 193 1.040 37.581 0.150 24.978 -99.200 -91.000 TRP6 193 1.020 36.463 -1.713 24.110 -99.200 -91.000 TYR 206 0.840 44.861 1.776 20.432 -99.200 -91.000 TYR 212 0.840 37.209 13.273 22.298 -99.200 -91.000 TRP 215 1.040 36.718 19.316 26.046 -99.200 -91.000 TRP6 215 1.020 38.271 17.895 27.105 -99.200 -91.000