============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 27 0.840 62.034 74.138 -16.370 -99.200 -91.000 TYR 33 0.840 71.300 74.456 -23.550 -99.200 -91.000 TRP 35 1.040 63.165 70.508 -22.864 -99.200 -91.000 TRP6 35 1.020 62.712 70.137 -20.577 -99.200 -91.000 HIS 36 0.900 70.184 66.322 -23.843 -99.200 -91.000 TRP 37 1.040 63.217 61.803 -26.528 -99.200 -91.000 TRP6 37 1.020 61.768 60.409 -25.279 -99.200 -91.000 PHE 41 1.000 70.800 49.716 -26.500 -99.200 -91.000 TRP 48 1.040 72.515 62.396 -26.308 -99.200 -91.000 TRP6 48 1.020 73.387 63.233 -28.351 -99.200 -91.000 TYR 51 0.840 71.111 68.445 -28.097 -99.200 -91.000 HIS 53 0.900 69.337 75.752 -28.503 -99.200 -91.000 TYR 54 0.840 67.616 78.584 -25.989 -99.200 -91.000 TYR 60 0.840 67.683 64.168 -34.679 -99.200 -91.000 PHE 79 1.000 61.450 65.933 -24.621 -99.200 -91.000 PHE 80 1.000 55.120 65.245 -29.110 -99.200 -91.000 TYR 94 0.840 63.758 53.505 -26.378 -99.200 -91.000 TYR 95 0.840 65.985 55.837 -18.141 -99.200 -91.000 TYR 104 0.840 82.453 75.463 -13.588 -99.200 -91.000 TYR 109 0.840 73.250 81.069 -15.081 -99.200 -91.000 TRP 114 1.040 68.396 61.941 -16.144 -99.200 -91.000 TRP6 114 1.020 69.475 60.329 -17.477 -99.200 -91.000 TYR 133 0.840 50.092 28.206 -12.168 -99.200 -91.000 TYR 156 0.840 55.703 38.133 -17.366 -99.200 -91.000 PHE 157 1.000 57.272 38.976 -25.278 -99.200 -91.000 TRP 165 1.040 54.703 39.542 -1.646 -99.200 -91.000 TRP6 165 1.020 54.059 37.277 -1.875 -99.200 -91.000 HIS 175 0.900 65.011 38.252 -0.653 -99.200 -91.000 PHE 177 1.000 64.282 35.509 -6.003 -99.200 -91.000 TYR 186 0.840 60.012 38.240 -20.433 -99.200 -91.000 HIS 210 0.900 51.781 41.159 -18.805 -99.200 -91.000