============================================================================= 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 5 1.000 23.852 71.457 16.379 -99.200 -91.000 TYR 19 0.840 41.132 76.739 7.193 -99.200 -91.000 TRP 26 1.040 33.251 70.100 7.923 -99.200 -91.000 TRP6 26 1.020 33.065 70.355 10.274 -99.200 -91.000 TYR 33 0.840 26.142 67.777 2.665 -99.200 -91.000 TYR 37 0.840 29.248 75.554 10.547 -99.200 -91.000 HIS 43 0.900 26.936 70.993 25.676 -99.200 -91.000 TYR 65 0.840 33.684 77.761 13.570 -99.200 -91.000 PHE 78 1.000 22.302 78.340 17.039 -99.200 -91.000 HIS 82 0.900 23.317 85.075 22.032 -99.200 -91.000 HIS 86 0.900 20.249 74.755 21.146 -99.200 -91.000 TRP 91 1.040 12.774 69.260 32.750 -99.200 -91.000 TRP6 91 1.020 13.998 68.396 34.584 -99.200 -91.000 TYR 96 0.840 10.208 61.317 27.562 -99.200 -91.000 TYR 98 0.840 16.126 53.721 30.543 -99.200 -91.000 PHE 99 1.000 22.300 58.077 37.992 -99.200 -91.000 PHE 108 1.000 29.905 61.559 35.628 -99.200 -91.000 TYR 115 0.840 37.568 69.658 34.026 -99.200 -91.000 PHE 124 1.000 24.844 61.697 35.763 -99.200 -91.000 TYR 126 0.840 29.288 66.616 28.639 -99.200 -91.000 TYR 137 0.840 18.619 73.794 15.729 -99.200 -91.000 HIS 151 0.900 29.345 62.684 25.194 -99.200 -91.000 PHE 162 1.000 9.608 62.550 22.618 -99.200 -91.000 TYR 166 0.840 5.663 60.655 23.991 -99.200 -91.000 PHE 170 1.000 13.163 64.419 19.303 -99.200 -91.000 PHE 176 1.000 29.430 66.637 7.224 -99.200 -91.000 TYR 233 0.840 53.294 61.092 1.465 -99.200 -91.000 PHE 263 1.000 59.682 71.580 -2.682 -99.200 -91.000 TYR 268 0.840 65.499 66.159 4.148 -99.200 -91.000 HIS 270 0.900 66.990 74.836 -1.113 -99.200 -91.000 TYR 290 0.840 40.011 86.767 15.006 -99.200 -91.000 TYR 293 0.840 34.156 88.778 8.638 -99.200 -91.000 TYR 323 0.840 7.807 72.051 25.911 -99.200 -91.000 PHE 328 1.000 5.135 69.567 29.262 -99.200 -91.000