Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.609 CA :: 62.281 CB :: 69.097 CG2 :: 21.384 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.368 HB :: 4.257 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.R3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.51 C 0.33 K 0.08 G 0.03 L 0.03 HN Overlap>> 1.T37 1.T37 C Shift Assignments>> C :: 175.917 CA :: 55.266 CB :: 29.490 CG :: 27.565 CD :: 42.808 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.368 HA :: 4.100 HB2 :: 1.250 HB3 :: 1.482 HG2 :: 1.474 HG3 :: 1.606 HD2 :: 3.128 HD3 :: 3.223 HE :: 7.075 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.796 NE :: 115.589(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 173.884 CA :: 59.056 CB :: 39.186 CD1 :: 132.617 CE1 :: 117.293 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.329 HA :: 3.910 HB2 :: 3.058 HB3 :: 2.587 HD1 :: 6.935 HD2 :: 6.935 HE1 :: 6.671 HE2 :: 6.671 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.822 Ave N Shift Values>> N :: 120.52(4.2) 1.K5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 R 0.38 K 0.11 G 0.01 C Shift Assignments>> C :: 173.383 CA :: 58.859 CB :: 29.822 CG :: 26.560 CD :: 29.992 CE :: 42.369 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.168 HA :: 3.251 HB2 :: 0.975 HB3 :: 1.073 HG2 :: -0.475(S) HG3 :: -0.280(S) HD2 :: 1.726 HD3 :: 1.726 HE2 :: 2.477 HE3 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.688 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T6 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.637 CA :: 61.880 CB :: 70.477 CG2 :: 29.870(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.501 HA :: 4.614 HB :: 4.265 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.465 Ave N Shift Values>> N :: 115.42(4.75) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 E 0.03 C Shift Assignments>> C :: 175.273 CA :: 54.611 CB :: 34.692 CG :: 37.240 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.025 HA :: 4.680 HB2 :: 2.166 HB3 :: 2.166 HG2 :: 2.472 HG3 :: 2.534 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.389 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.3 A 0.06 R 0.05 HN Overlap>> 1.Q25 1.Q25 C Shift Assignments>> C :: 177.058 CA :: 55.653 CB :: 41.905 CG :: 26.862 CD1 :: 25.711 CD2 :: 22.155 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.882 HA :: 4.383 HB2 :: 1.800 HB3 :: 1.468 HG :: 1.787 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.966 Ave N Shift Values>> N :: 121.86(3.9) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.17 R 0.15 E 0.12 H 0.12 Q 0.05 I 0.01 P 0.01 C Shift Assignments>> C :: 176.962 CA :: 59.313 CB :: 31.864 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.672 HA :: 4.761 HB2 :: 3.243 HB3 :: 2.801 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.914 Ave N Shift Values>> N :: 120.17(4.64) 1.R10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.56 R 0.25 G 0.07 L 0.05 K 0.04 C Shift Assignments>> CA :: 60.739 CB :: 27.938 CG :: 27.118 CD :: 42.982 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 10.880(S) HA :: 4.380 HB2 :: 1.561 HB3 :: 1.775 HG2 :: 1.739 HG3 :: 1.785 HD2 :: 2.988 HD3 :: 3.117 HE :: 7.150 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 106.073(S) NE :: 114.400(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 180.037 CA :: 66.518 CB :: 31.471 CG :: 28.773 CD :: 50.198 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.454 HB2 :: 2.199 HB3 :: 2.480 HG2 :: 2.048 HG3 :: 2.696 HD2 :: 3.525 HD3 :: 5.197(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 F 0.34 Y 0.22 C Shift Assignments>> C :: 179.630 CA :: 62.581 CB :: 37.933 CD1 :: 130.170 CE1 :: 130.436 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.964 HA :: 3.813 HB2 :: 3.213 HB3 :: 3.283 HD1 :: 6.752 HD2 :: 6.752 HE1 :: 7.111 HE2 :: 7.111 HZ :: 6.057 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.039 Ave N Shift Values>> N :: 120.45(4.18) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.41 I 0.09 K 0.04 Q 0.03 C Shift Assignments>> C :: 178.737 CA :: 58.777 CB :: 30.224 CG :: 36.423 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.648 HA :: 4.017 HB2 :: 2.248 HB3 :: 2.370 HG2 :: 2.388 HG3 :: 2.584 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.341 Ave N Shift Values>> N :: 120.67(3.48) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.42 I 0.06 K 0.04 Q 0.03 C Shift Assignments>> C :: 178.704 CA :: 58.437 CB :: 30.396 CG :: 36.319 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.469 HA :: 4.125 HB2 :: 2.037 HB3 :: 2.118 HG2 :: 2.254 HG3 :: 2.443 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.440 Ave N Shift Values>> N :: 120.67(3.48) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 S 0.49 C Shift Assignments>> C :: 175.519 CA :: 58.638 CB :: 67.009 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.494 HA :: 4.764 HB2 :: 3.837 HB3 :: 3.966 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.152 Ave N Shift Values>> N :: 116.28(3.52) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.377 CA :: 45.076 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.352 HA2 :: 2.777 HA3 :: 3.787 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.082 Ave N Shift Values>> N :: 109.67(3.87) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 170.910 CA :: 59.819 CB :: 70.802 CG2 :: 20.222 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.487 HA :: 4.454 HB :: 3.940 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.660 Ave N Shift Values>> N :: 115.42(4.75) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.23 Q 0.14 R 0.11 H 0.09 E 0.06 C Shift Assignments>> C :: 177.363 CA :: 58.742 CB :: 32.885 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.269 HA :: 4.676 HB2 :: 2.998 HB3 :: 2.745 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.318 Ave N Shift Values>> N :: 120.17(4.64) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.08 C Shift Assignments>> C :: 177.272 CA :: 58.544 CB :: 31.867 CG :: 24.099 CD :: 29.428 CE :: 41.941 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.216 HA :: 4.245 HB2 :: 1.885 HB3 :: 1.800 HG2 :: 0.835 HG3 :: 1.483 HD2 :: 1.562 HD3 :: 1.610 HE2 :: 2.786 HE3 :: 2.959 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 131.637 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 178.074 CA :: 60.458 CB :: 38.333 CD1 :: 132.155 CE1 :: 117.616 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.289 HA :: 4.345 HB2 :: 3.230 HB3 :: 2.637 HD1 :: 7.143 HD2 :: 7.143 HE1 :: 6.783 HE2 :: 6.783 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.448 Ave N Shift Values>> N :: 120.52(4.2) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 176.807 CA :: 47.575 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.018 HA2 :: 4.073 HA3 :: 4.073 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.028 Ave N Shift Values>> N :: 109.67(3.87) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.11 K 0.1 Q 0.05 C Shift Assignments>> C :: 177.208 CA :: 58.072 CB :: 29.104 CG :: 36.222 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.599 HA :: 4.301 HB2 :: 2.141 HB3 :: 2.275 HG2 :: 2.427 HG3 :: 2.427 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.536 Ave N Shift Values>> N :: 120.67(3.48) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.18 C Shift Assignments>> C :: 176.244 CA :: 55.769 CB :: 32.127 CG :: 25.631 CD :: 29.025 CE :: 42.043 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.555 HA :: 4.498 HB2 :: 2.233 HB3 :: 2.233 HG2 :: 1.556 HG3 :: 1.673 HD2 :: 1.863 HD3 :: 1.863 HE2 :: 3.116 HE3 :: 3.116 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.618 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 P 0.33 R 0.06 E 0.05 K 0.05 I 0.04 H 0.04 Q 0.01 C Shift Assignments>> C :: 177.250 CA :: 61.628 CB :: 31.512 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.509 HA :: 4.065 HB2 :: 3.189 HB3 :: 2.498 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.255 Ave N Shift Values>> N :: 120.17(4.64) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 C 0.23 E 0.12 R 0.03 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 175.081 CA :: 55.042 CB :: 28.768 CG :: 34.432 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.945 HA :: 4.254 HB2 :: 1.421 HB3 :: 2.519 HG2 :: 2.518 HG3 :: 2.638 HE21 :: 7.083 HE22 :: 7.202 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.948 NE2 :: 115.549 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.32 F 0.09 C Shift Assignments>> C :: 175.111 CA :: 56.909 CB :: 39.299 CZ :: 125.985 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.513 HA :: 4.780 HB2 :: 2.861 HB3 :: 2.861 HD1 :: 6.567 HD2 :: 6.567 HZ :: 5.746 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.986 Ave N Shift Values>> N :: 120.45(4.18) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 176.731 CA :: 52.901 CB :: 19.053 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.066 HA :: 3.633 HB1 :: 1.045 HB2 :: 1.045 HB3 :: 1.045 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.133 Ave N Shift Values>> N :: 123.23(3.54) 1.H28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.71 H 0.25 A 0.02 C Shift Assignments>> C :: 174.046 CA :: 52.819 CB :: 25.051 CD2 :: 123.909 CE1 :: 137.461 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.425 HA :: 4.378 HB2 :: 2.541 HB3 :: 0.962(S) HD2 :: 6.404 HE1 :: 7.926 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 129.137 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.29 R 0.24 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.654 CA :: 44.109 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.017 HA2 :: 3.983 HA3 :: 4.491 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.582 Ave N Shift Values>> N :: 109.67(3.87) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.3 C 0.24 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> CA :: 60.711 CB :: 38.948 CD1 :: 130.883 CE1 :: 130.805 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.446 HA :: 4.054 HB2 :: 3.199 HB3 :: 3.093 HD1 :: 7.216 HD2 :: 7.216 HE1 :: 7.364 HE2 :: 7.364 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.886 Ave N Shift Values>> N :: 120.45(4.18) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.17 K 0.16 Q 0.15 R 0.13 E 0.12 H 0.11 I 0.08 L 0.04 C Shift Assignments>> C :: 179.379 CA :: 57.978 CB :: 28.258 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.356 HB2 :: 3.152 HB3 :: 3.238 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.44 Q 0.02 C Shift Assignments>> C :: 176.185 CA :: 56.028 CB :: 31.697 CG :: 36.676 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.184 HA :: 4.115 HB2 :: 1.598 HB3 :: 1.981 HG2 :: 1.927 HG3 :: 2.053 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.760 Ave N Shift Values>> N :: 120.67(3.48) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.05 G 0.02 C Shift Assignments>> C :: 177.551 CA :: 55.808 CB :: 42.502 CG :: 26.811 CD1 :: 25.254 CD2 :: 24.276 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.016 HA :: 4.074 HB3 :: 1.426 HG :: 1.325 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.446 Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.48 C 0.32 K 0.1 G 0.08 C Shift Assignments>> C :: 175.850 CA :: 54.474 CB :: 31.317 CD :: 43.326 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.683 HA :: 4.397 HB2 :: 1.441 HB3 :: 1.790 HG2 :: 1.546 HG3 :: 1.782 HD2 :: 3.160 HD3 :: 3.160 HE :: 7.390 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.726 NE :: 116.668(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.34 P 0.26 T 0.18 I 0.14 C 0.03 C Shift Assignments>> C :: 173.892 CB :: 63.855 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.368 HA :: 4.306 HB2 :: 3.744 HB3 :: 3.744 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.876 Ave N Shift Values>> N :: 116.28(3.52) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.28 C 0.13 R 0.04 K 0.01 C Shift Assignments>> C :: 177.210 CA :: 53.861 CB :: 44.154 CD1 :: 24.631 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.398 HA :: 4.472 HB2 :: 1.405 HB3 :: 1.480 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.958 Ave N Shift Values>> N :: 121.86(3.9) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.R3 1.R3 C Shift Assignments>> C :: 174.251 CA :: 62.448 CB :: 68.892 CG2 :: 21.569 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.413 HA :: 4.113 HB :: 3.955 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.898 Ave N Shift Values>> N :: 115.42(4.75) 1.R38 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> R 0.36 C 0.3 K 0.29 G 0.02 C Shift Assignments>> C :: 174.723 CA :: 53.374 CB :: 31.935 CG :: 26.164 CD :: 42.460 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.595 HA :: 4.156 HB2 :: 1.424 HB3 :: 1.288 HG2 :: 1.049 HG3 :: 1.188 HD2 :: 1.824(S) HD3 :: 2.147(S) HE :: 6.886 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.045 NE :: 115.765(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> CA :: 56.301 CB :: 31.889 CD2 :: 117.889 CE1 :: 137.449 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.556 HA :: 4.360 HB2 :: 3.192 HB3 :: 2.654 HD2 :: 7.160 HE1 :: 7.536 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.578 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 178.501 CA :: 65.076 CB :: 32.129 CG :: 27.325 CD :: 50.260 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.292 HB2 :: 1.796 HB3 :: 2.295 HG2 :: 1.718 HG3 :: 1.809 HD2 :: 2.271(S) HD3 :: 3.431 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K41 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> K 0.42 C 0.31 R 0.25 C Shift Assignments>> C :: 176.058 CA :: 54.950 CB :: 31.617 CG :: 26.056 CD :: 29.006 CE :: 42.001 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 0.316(A) HA :: 4.260 HB2 :: 1.539 HB3 :: 1.672 HG2 :: 1.301 HG3 :: 1.561 HD2 :: 1.730 HD3 :: 1.820 HE2 :: 3.019 HE3 :: 3.044 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) SRO Rule Breaks>> (H > HA : 1.0000) (H > HB2 : 1.0000) (H > HB3 : 1.0000) (H > HG2 : 1.0000) (H > HG3 : 1.0000) (H > HD2 : 0.9997) (H > HD3 : 1.0000) (H > HE2 : 1.0000) (H > HE3 : 1.0000) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 174.188 CA :: 59.681 CB :: 39.479 CD1 :: 132.556 CE1 :: 117.373 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.932 HA :: 3.660 HB2 :: 3.201 HB3 :: 2.691 HD1 :: 6.822 HD2 :: 6.822 HE1 :: 6.584 HE2 :: 6.584 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.501 Ave N Shift Values>> N :: 120.52(4.2) 1.K43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 K 0.35 R 0.19 C Shift Assignments>> C :: 173.663 CA :: 57.828 CB :: 29.948 CG :: 25.308 CD :: 28.968 CE :: 42.050 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.909 HA :: 3.106 HB2 :: 1.262 HB3 :: 1.406 HG2 :: -0.350(S) HG3 :: -0.027(S) HD2 :: 0.969 HD3 :: 1.186 HE2 :: 2.737 HE3 :: 2.877 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.795 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.400 CA :: 62.235 CB :: 71.454 CG2 :: 21.186 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.717 HA :: 4.569 HB :: 4.173 HG21 :: 1.035 HG22 :: 1.035 HG23 :: 1.035 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.267 Ave N Shift Values>> N :: 115.42(4.75) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.2 Q 0.03 C Shift Assignments>> C :: 175.637 CA :: 54.087 CB :: 33.182 CG :: 35.859 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.241 HA :: 4.881 HB2 :: 2.062 HB3 :: 2.265 HG2 :: 2.508 HG3 :: 2.508 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.411 Ave N Shift Values>> N :: 120.67(3.48) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.34 A 0.04 C Shift Assignments>> C :: 177.604 CA :: 56.112 CB :: 41.171 CG :: 26.809 CD1 :: 24.689 CD2 :: 22.359 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.937 HA :: 4.224 HB2 :: 1.657 HB3 :: 1.123 HG :: 1.667 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.538 HD22 :: 0.538 HD23 :: 0.538 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.263 Ave N Shift Values>> N :: 121.86(3.9) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.15 K 0.15 E 0.13 H 0.12 Q 0.05 I 0.01 P 0.01 C Shift Assignments>> C :: 177.428 CA :: 59.535 CB :: 31.697 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.577 HA :: 4.799 HB2 :: 3.026 HB3 :: 3.412 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.490 Ave N Shift Values>> N :: 120.17(4.64) 1.R48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> R 0.44 C 0.44 G 0.05 K 0.04 C Shift Assignments>> C :: 177.834 CA :: 58.842 CB :: 30.178 CG :: 27.379 CD :: 43.269 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 11.330(S) HA :: 4.279 HB2 :: 1.650 HB3 :: 1.704 HG2 :: 1.313 HG3 :: 1.577 HD2 :: 2.634 HD3 :: 2.634 HE :: 6.784 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 106.718(S) NE :: 113.999(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 176.455 CA :: 65.291 CB :: 68.473 CG2 :: 23.631 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.187 HA :: 4.069 HB :: 4.464 HG21 :: 1.555 HG22 :: 1.555 HG23 :: 1.555 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 115.42(4.75) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 Y 0.15 C 0.15 F 0.15 C Shift Assignments>> C :: 178.083 CA :: 62.117 CB :: 39.225 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.803 HA :: 3.419 HB2 :: 2.909 HB3 :: 2.829 HD1 :: 6.053 HD2 :: 6.053 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.830 Ave N Shift Values>> N :: 120.45(4.18) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 H 0.48 C Shift Assignments>> C :: 175.133 CA :: 58.362 CB :: 29.140 CD2 :: 119.851 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.055 HA :: 4.327 HB2 :: 3.486 HB3 :: 3.285 HD2 :: 7.944 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 112.512 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.921 CA :: 63.960 CB :: 69.776 CG2 :: 21.476 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.644 HA :: 4.402 HB :: 4.206 HG21 :: 1.312 HG22 :: 1.312 HG23 :: 1.312 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.630 Ave N Shift Values>> N :: 115.42(4.75) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 177.196 CA :: 61.111 CB :: 39.207 CG1 :: 27.183 CG2 :: 17.686 CD1 :: 13.145 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.246 HA :: 4.482 HB :: 2.174 HG12 :: 1.295 HG13 :: 1.417 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.589 Ave N Shift Values>> N :: 121.46(4.28) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.279 CA :: 45.144 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.322 HA2 :: 3.156 HA3 :: 3.911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.837 Ave N Shift Values>> N :: 109.67(3.87) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.37 C 0.18 C Shift Assignments>> CA :: 56.116 CB :: 41.792 CD1 :: 131.143 CE1 :: 129.143 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.026 HA :: 4.448 HB2 :: 3.108 HB3 :: 2.616 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 7.308 HE2 :: 7.308 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.835 Ave N Shift Values>> N :: 120.45(4.18) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.24 K 0.23 H 0.07 R 0.07 E 0.03 C Shift Assignments>> CA :: 54.867 CB :: 33.800 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.083 HA :: 4.909 HB2 :: 2.682 HB3 :: 2.814 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.869 Ave N Shift Values>> N :: 120.17(4.64) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 S 0.01 C Shift Assignments>> C :: 177.831 CA :: 64.294 CB :: 31.622 CG :: 26.800 CD :: 52.210 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.465 HB2 :: 2.262 HB3 :: 2.385 HG2 :: 1.858 HG3 :: 2.191 HD2 :: 3.724 HD3 :: 4.366 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 177.872 CA :: 60.539 CB :: 38.046 CD1 :: 131.495 CE1 :: 117.782 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.066 HA :: 4.441 HB2 :: 3.342 HB3 :: 2.539 HD1 :: 6.928 HD2 :: 6.928 HE1 :: 6.715 HE2 :: 6.715 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.055 Ave N Shift Values>> N :: 120.52(4.2) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.756 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.943 HA2 :: 3.968 HA3 :: 4.446 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.422 Ave N Shift Values>> N :: 109.67(3.87) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.630 CA :: 63.945 CB :: 32.329 CG :: 26.893 CD :: 51.660 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.648 HB2 :: 2.245 HB3 :: 2.500 HG2 :: 2.153 HG3 :: 2.209 HD2 :: 3.945 HD3 :: 4.186 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R61 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.45 C 0.38 K 0.08 G 0.06 C Shift Assignments>> C :: 175.814 CA :: 56.467 CB :: 29.990 CG :: 28.120 CD :: 43.375 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.473 HA :: 4.583 HB2 :: 2.383 HB3 :: 2.383 HG2 :: 1.908 HG3 :: 1.972 HD2 :: 3.481 HD3 :: 3.765 HE :: 8.846 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.597 NE :: 117.181(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 P 0.21 R 0.08 I 0.08 E 0.08 H 0.06 K 0.05 Q 0.03 C Shift Assignments>> C :: 177.347 CA :: 61.330 CB :: 31.090 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.573 HA :: 3.998 HB2 :: 2.987 HB3 :: 2.351 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.656 Ave N Shift Values>> N :: 120.17(4.64) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 H 0.19 K 0.16 R 0.15 C 0.14 E 0.13 L 0.01 C Shift Assignments>> C :: 174.359 CA :: 54.959 CB :: 29.418 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.008 HA :: 4.589 HB2 :: 2.345 HB3 :: 3.496 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.973 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 F 0.1 Y 0.01 C Shift Assignments>> C :: 174.433 CA :: 56.933 CB :: 39.245 CD1 :: 130.248 CE1 :: 128.524 CZ :: 125.608 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.176 HA :: 4.774 HB2 :: 2.839 HB3 :: 2.939 HD1 :: 6.554 HD2 :: 6.554 HE1 :: 6.132 HE2 :: 6.132 HZ :: 5.766 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.853 Ave N Shift Values>> N :: 120.45(4.18) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 178.130 CA :: 63.915 CB :: 40.047 CG1 :: 28.388 CG2 :: 16.161 CD1 :: 14.063 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.209 HA :: 3.373 HB :: 1.531 HG12 :: 0.573 HG13 :: 1.101 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.506 HD12 :: 0.506 HD13 :: 0.506 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 121.46(4.28) 1.H66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.51 C 0.48 C Shift Assignments>> C :: 172.885 CA :: 53.474 CB :: 26.411 CD2 :: 122.791 CE1 :: 138.333 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.070 HA :: 4.396 HB2 :: 2.870 HB3 :: 1.246(S) HD2 :: 6.484 HE1 :: 7.913 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 130.462 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 H 0.12 Q 0.11 R 0.1 K 0.09 E 0.07 D 0.07 C 0.07 F 0.06 Y 0.05 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 175.390 CA :: 55.986 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.900 HA :: 4.816 HB2 :: 2.924 HB3 :: 2.924 HD21 :: 7.200 HD22 :: 7.841 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.206 ND2 :: 114.294 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.549 CA :: 53.196 CB :: 18.826 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.625 HA :: 4.205 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.121 Ave N Shift Values>> N :: 123.23(3.54) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.09 Y 0.07 K 0.07 C 0.06 HN Overlap>> 1.F30 1.F30 C Shift Assignments>> C :: 175.363 CA :: 54.134 CB :: 40.880 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.385 HA :: 4.635 HB2 :: 2.675 HB3 :: 2.758 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.885 Ave N Shift Values>> N :: 120.65(3.86) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 R 0.18 H 0.16 E 0.16 K 0.15 Q 0.08 C Shift Assignments>> CA :: 58.063 CB :: 31.384 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.727 HA :: 4.135 HB2 :: 1.938 HB3 :: 2.032 HG2 :: 2.222 HG3 :: 2.222 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.287 Ave N Shift Values>> N :: 120.67(3.48) 2.U1 Overall Status: Residue type U not supported. 2.U2 Overall Status: Residue type U not supported. 2.A3 Overall Status: Residue type A not supported. 2.U4 Overall Status: Residue type U not supported. 2.U5 Overall Status: Residue type U not supported. 2.U6 Overall Status: Residue type U not supported. 2.A7 Overall Status: Residue type A not supported. 2.U8 Overall Status: Residue type U not supported. 2.U9 Overall Status: Residue type U not supported. 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 56 #Clerical: 0 #Suspicious: 6 #Anomalous: 7 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 69 #Suspicious: 1 C Shift Results: #Consistent: 281 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 447 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 1 N Shift Results: #Consistent: 62 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 6 Error Summary: 1.R3 NE = 115.589(A), Expected = 84.63, Std = 1.6800, ChiSquare = 7.8360e-76 1.K5 HG2 = -0.475(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.2828e-12 1.K5 HG3 = -0.280(S), Expected = 1.35, Std = 0.2800, ChiSquare = 5.8347e-09 1.T6 Typing: Mistyped 1.T6 CG2 = 29.870(S), Expected = 21.55, Std = 1.1100, ChiSquare = 6.6048e-14 1.R10 H = 10.880(S), Expected = 8.24, Std = 0.6100, ChiSquare = 1.5056e-05 1.R10 N = 106.073(S), Expected = 120.80, Std = 3.6800, ChiSquare = 6.2835e-05 1.R10 NE = 114.400(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.9267e-70 1.P11 HD3 = 5.197(S), Expected = 3.61, Std = 0.3900, ChiSquare = 4.7169e-05 1.H28 HB3 = 0.962(S), Expected = 3.04, Std = 0.3800, ChiSquare = 4.5406e-08 1.R34 NE = 116.668(A), Expected = 84.63, Std = 1.6800, ChiSquare = 4.4627e-81 1.R38 HD2 = 1.824(S), Expected = 3.12, Std = 0.2400, ChiSquare = 6.6641e-08 1.R38 HD3 = 2.147(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.4697e-04 1.R38 NE = 115.765(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.1242e-76 1.P40 HD2 = 2.271(S), Expected = 3.65, Std = 0.3500, ChiSquare = 8.1482e-05 1.K41 H = 0.316(A), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4205e-39 1.K41 SRO Rule Break>> H > HA : 1 1.K41 SRO Rule Break>> H > HB2 : 1 1.K41 SRO Rule Break>> H > HB3 : 1 1.K41 SRO Rule Break>> H > HG2 : 1 1.K41 SRO Rule Break>> H > HG3 : 1 1.K41 SRO Rule Break>> H > HD2 : 0.999700688416642 1.K41 SRO Rule Break>> H > HD3 : 1 1.K41 SRO Rule Break>> H > HE2 : 1 1.K41 SRO Rule Break>> H > HE3 : 1 1.K43 HG2 = -0.350(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.7059e-11 1.K43 HG3 = -0.027(S), Expected = 1.35, Std = 0.2800, ChiSquare = 8.7497e-07 1.R48 H = 11.330(S), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0717e-07 1.R48 N = 106.718(S), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2991e-04 1.R48 NE = 113.999(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.9805e-68 1.R61 NE = 117.181(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.2402e-83 1.H66 HB3 = 1.246(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.3463e-06