============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 21.005 133.789 83.191 -99.200 -91.000 TRP 40 1.040 29.081 122.091 82.773 -99.200 -91.000 TRP6 40 1.020 30.598 123.677 81.897 -99.200 -91.000 TYR 45 0.840 14.531 120.391 69.525 -99.200 -91.000 PHE 57 1.000 24.466 114.570 80.191 -99.200 -91.000 PHE 103 1.000 -14.485 117.376 88.011 -99.200 -91.000 PHE 128 1.000 -10.836 129.419 83.987 -99.200 -91.000 HIS 137 0.900 -3.983 117.693 88.800 -99.200 -91.000 PHE 152 1.000 -3.646 126.062 95.431 -99.200 -91.000 PHE 159 1.000 5.627 121.559 93.204 -99.200 -91.000 TRP 173 1.040 7.238 114.715 102.909 -99.200 -91.000 TRP6 173 1.020 6.923 114.396 100.600 -99.200 -91.000 TYR 179 0.840 -5.822 113.657 102.226 -99.200 -91.000 TYR 206 0.840 4.439 96.818 91.639 -99.200 -91.000 HIS 208 0.900 10.420 95.679 95.181 -99.200 -91.000 PHE 214 1.000 2.597 101.094 96.809 -99.200 -91.000 PHE 221 1.000 2.476 110.686 89.534 -99.200 -91.000 PHE 222 1.000 -3.699 117.959 95.132 -99.200 -91.000 PHE 232 1.000 0.315 125.444 79.077 -99.200 -91.000 HIS 251 0.900 -15.644 134.010 70.358 -99.200 -91.000 PHE 271 1.000 8.643 122.860 84.297 -99.200 -91.000 PHE 305 1.000 10.065 131.174 73.169 -99.200 -91.000 HIS 309 0.900 13.093 120.899 66.384 -99.200 -91.000 PHE 310 1.000 9.932 123.841 67.938 -99.200 -91.000 HIS 326 0.900 5.799 121.005 72.993 -99.200 -91.000 PHE 329 1.000 2.981 118.329 78.105 -99.200 -91.000 HIS 334 0.900 13.598 110.759 85.080 -99.200 -91.000 PHE 335 1.000 6.548 113.120 77.195 -99.200 -91.000 HIS 345 0.900 -5.915 122.736 83.871 -99.200 -91.000 TRP 371 1.040 5.891 138.855 86.427 -99.200 -91.000 TRP6 371 1.020 4.806 137.084 85.320 -99.200 -91.000 PHE 375 1.000 6.035 128.378 93.442 -99.200 -91.000 TRP 387 1.040 -16.094 139.603 81.129 -99.200 -91.000 TRP6 387 1.020 -15.201 139.429 83.305 -99.200 -91.000