============================================================================= 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 20.974 92.418 14.175 -99.200 -91.000 TYR 14 0.840 8.570 93.746 19.330 -99.200 -91.000 TYR 22 0.840 7.104 112.375 6.274 -99.200 -91.000 HIS 23 0.900 9.504 105.288 9.776 -99.200 -91.000 PHE 24 1.000 5.115 110.506 12.251 -99.200 -91.000 TRP 34 1.040 -5.678 100.721 22.873 -99.200 -91.000 TRP6 34 1.020 -5.799 103.058 23.218 -99.200 -91.000 HIS 40 0.900 10.185 112.371 20.309 -99.200 -91.000 TYR 42 0.840 -0.825 114.962 18.446 -99.200 -91.000 PHE 64 1.000 0.078 100.357 4.257 -99.200 -91.000 HIS 73 0.900 2.106 110.902 31.429 -99.200 -91.000 TYR 76 0.840 6.299 115.524 25.407 -99.200 -91.000 TRP 121 1.040 11.659 100.279 8.610 -99.200 -91.000 TRP6 121 1.020 9.822 99.725 9.991 -99.200 -91.000 TYR 131 0.840 16.838 109.066 7.065 -99.200 -91.000 TYR 152 0.840 22.844 112.429 26.956 -99.200 -91.000 PHE 161 1.000 15.742 102.511 29.282 -99.200 -91.000 TYR 165 0.840 27.235 98.291 22.832 -99.200 -91.000 TRP 193 1.040 16.136 112.688 25.500 -99.200 -91.000 TRP6 193 1.020 18.168 113.634 26.264 -99.200 -91.000 TYR 206 0.840 16.993 104.138 23.923 -99.200 -91.000 TYR 212 0.840 5.809 106.902 31.962 -99.200 -91.000 TRP 215 1.040 -1.111 107.386 31.815 -99.200 -91.000 TRP6 215 1.020 -0.233 107.315 29.620 -99.200 -91.000