============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 4 0.840 8.599 52.394 21.295 -99.200 -91.000 HIS 14 0.900 -4.378 75.189 15.656 -99.200 -91.000 PHE 18 1.000 -2.841 75.144 22.005 -99.200 -91.000 PHE 21 1.000 3.840 72.982 20.113 -99.200 -91.000 PHE 22 1.000 2.246 67.854 28.153 -99.200 -91.000 TRP 24 1.040 7.118 75.874 23.308 -99.200 -91.000 TRP6 24 1.020 8.483 74.670 21.811 -99.200 -91.000 PHE 40 1.000 7.004 73.760 12.091 -99.200 -91.000 TYR 41 0.840 4.424 66.054 15.520 -99.200 -91.000 TYR 42 0.840 8.180 69.872 23.334 -99.200 -91.000 PHE 52 1.000 0.055 68.227 9.044 -99.200 -91.000 TRP 61 1.040 11.539 76.465 17.329 -99.200 -91.000 TRP6 61 1.020 10.338 77.279 15.456 -99.200 -91.000 TRP 68 1.040 1.992 80.255 9.111 -99.200 -91.000 TRP6 68 1.020 1.547 78.199 8.061 -99.200 -91.000 HIS 71 0.900 6.514 74.100 7.421 -99.200 -91.000 TRP 74 1.040 15.387 76.453 8.620 -99.200 -91.000 TRP6 74 1.020 17.686 76.068 8.216 -99.200 -91.000 PHE 75 1.000 12.075 71.720 7.369 -99.200 -91.000 TYR 80 0.840 -0.319 72.774 7.195 -99.200 -91.000 PHE 89 1.000 5.010 83.057 3.719 -99.200 -91.000