============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 15 1.000 16.813 101.907 51.609 -99.200 -91.000 PHE 25 1.000 22.301 114.213 43.503 -99.200 -91.000 PHE 32 1.000 21.924 112.359 29.974 -99.200 -91.000 TYR 48 0.840 23.138 94.828 29.508 -99.200 -91.000 TYR 53 0.840 12.269 110.030 22.335 -99.200 -91.000 TRP 54 1.040 19.985 106.377 20.163 -99.200 -91.000 TRP6 54 1.020 21.577 105.266 21.518 -99.200 -91.000 TYR 68 0.840 27.037 100.584 14.967 -99.200 -91.000 HIS 76 0.900 35.250 88.590 22.203 -99.200 -91.000 TRP 85 1.040 6.679 96.754 19.062 -99.200 -91.000 TRP6 85 1.020 8.060 95.426 17.657 -99.200 -91.000 HIS 86 0.900 3.206 99.595 20.706 -99.200 -91.000 TRP 100 1.040 19.736 106.567 12.156 -99.200 -91.000 TRP6 100 1.020 20.063 106.681 14.498 -99.200 -91.000 TYR 101 0.840 16.943 102.460 16.626 -99.200 -91.000 TYR 108 0.840 28.982 102.943 12.118 -99.200 -91.000 PHE 116 1.000 20.098 100.929 18.619 -99.200 -91.000 PHE 117 1.000 18.379 93.224 21.522 -99.200 -91.000 PHE 127 1.000 -5.765 100.921 26.451 -99.200 -91.000 HIS 131 0.900 7.242 106.749 30.398 -99.200 -91.000 PHE 135 1.000 21.241 106.293 29.331 -99.200 -91.000 PHE 137 1.000 27.287 104.268 29.726 -99.200 -91.000 TYR 143 0.840 17.092 106.330 37.272 -99.200 -91.000 TYR 152 0.840 14.682 114.261 26.729 -99.200 -91.000 HIS 154 0.900 22.255 123.262 25.421 -99.200 -91.000 PHE 156 1.000 22.293 121.151 16.037 -99.200 -91.000 TYR 159 0.840 18.273 124.074 28.492 -99.200 -91.000 TYR 161 0.840 17.292 121.860 34.294 -99.200 -91.000 TYR 164 0.840 20.694 115.657 32.986 -99.200 -91.000 HIS 169 0.900 27.301 99.973 45.034 -99.200 -91.000 PHE 178 1.000 13.579 94.983 36.067 -99.200 -91.000 TYR 182 0.840 12.263 89.461 36.853 -99.200 -91.000 PHE 186 1.000 15.987 88.255 23.559 -99.200 -91.000 TYR 190 0.840 9.563 89.569 18.336 -99.200 -91.000 TYR 210 0.840 7.668 91.815 28.159 -99.200 -91.000 TYR 220 0.840 15.549 97.197 39.084 -99.200 -91.000 PHE 238 1.000 9.141 96.778 36.555 -99.200 -91.000 PHE 255 1.000 3.857 112.572 47.149 -99.200 -91.000 TYR 268 0.840 3.969 116.693 30.767 -99.200 -91.000 PHE 269 1.000 -0.884 120.746 39.806 -99.200 -91.000 PHE 271 1.000 1.596 116.259 41.599 -99.200 -91.000 HIS 277 0.900 -7.930 112.353 46.990 -99.200 -91.000 PHE 301 1.000 2.533 117.095 23.684 -99.200 -91.000 TYR 302 0.840 3.506 128.217 24.269 -99.200 -91.000 PHE 309 1.000 -4.588 125.224 19.229 -99.200 -91.000 TYR 316 0.840 -2.452 127.809 26.246 -99.200 -91.000 TYR 318 0.840 -0.937 118.575 31.271 -99.200 -91.000 PHE 325 1.000 -1.972 122.165 44.442 -99.200 -91.000 PHE 329 1.000 -4.517 122.513 48.825 -99.200 -91.000 TRP 343 1.040 13.433 125.514 34.598 -99.200 -91.000 TRP6 343 1.020 13.541 125.368 32.222 -99.200 -91.000 TYR 350 0.840 10.520 121.501 34.989 -99.200 -91.000 HIS 351 0.900 10.787 114.465 30.497 -99.200 -91.000 TRP 356 1.040 15.120 116.179 46.317 -99.200 -91.000 TRP6 356 1.020