============================================================================= 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 60.117 -1.380 18.439 -99.200 -91.000 TYR 14 0.840 55.379 11.035 21.336 -99.200 -91.000 TYR 22 0.840 50.484 2.525 41.872 -99.200 -91.000 HIS 23 0.900 53.379 3.539 34.035 -99.200 -91.000 PHE 24 1.000 48.008 6.589 37.791 -99.200 -91.000 TRP 34 1.040 47.355 22.877 29.437 -99.200 -91.000 TRP6 34 1.020 45.420 22.345 30.654 -99.200 -91.000 HIS 40 0.900 41.095 3.447 31.188 -99.200 -91.000 TYR 42 0.840 40.242 12.253 38.747 -99.200 -91.000 PHE 64 1.000 60.665 11.817 39.015 -99.200 -91.000 HIS 73 0.900 34.208 15.019 26.710 -99.200 -91.000 TYR 76 0.840 35.209 8.121 31.707 -99.200 -91.000 TRP 121 1.040 57.911 2.741 30.943 -99.200 -91.000 TRP6 121 1.020 57.300 4.962 30.448 -99.200 -91.000 TYR 131 0.840 52.484 -4.823 34.965 -99.200 -91.000 TYR 152 0.840 36.748 -5.319 20.720 -99.200 -91.000 PHE 161 1.000 42.387 4.968 16.559 -99.200 -91.000 TYR 165 0.840 50.093 -6.033 14.039 -99.200 -91.000 TRP 193 1.040 37.434 0.082 25.033 -99.200 -91.000 TRP6 193 1.020 36.376 -1.819 24.142 -99.200 -91.000 TYR 206 0.840 44.659 1.657 20.470 -99.200 -91.000 TYR 212 0.840 36.966 13.174 22.138 -99.200 -91.000 TRP 215 1.040 36.441 19.196 25.711 -99.200 -91.000 TRP6 215 1.020 38.013 17.832 26.825 -99.200 -91.000