Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.01 F 0.01 C Shift Assignments>> CB :: 63.898 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.531 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 E 0.12 M 0.11 R 0.03 C Shift Assignments>> CA :: 55.678 CB :: 29.688 CG :: 33.921 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.579 HA :: 4.440 HB2 :: 2.122 HB3 :: 2.014 HG2 :: 2.389 HG3 :: 2.389 HE21 :: 6.876 HE22 :: 7.643 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.384 NE2 :: 112.778 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.31 C 0.19 G 0.09 K 0.05 C Shift Assignments>> CA :: 55.904 CG :: 27.285 CD :: 43.704 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.472 HA :: 4.475 HB2 :: 1.805 HB3 :: 1.878 HG2 :: 1.749 HG3 :: 1.749 HD2 :: 3.299 HD3 :: 3.299 HE :: 7.475 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.855 NE :: 84.774 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 L 0.2 Q 0.12 C 0.11 K 0.09 H 0.08 W 0.06 E 0.04 I 0.03 C Shift Assignments>> CA :: 56.385 CG :: 27.006 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.078 HA :: 4.284 HB2 :: 1.888 HB3 :: 1.769 HG2 :: 1.803 HG3 :: 1.803 HD2 :: 3.290 HD3 :: 3.290 HE :: 7.696 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.147 NE :: 84.042 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.13 M 0.09 R 0.03 C Shift Assignments>> CA :: 55.571 CB :: 29.550 CG :: 34.041 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.475 HA :: 4.301 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.375 HG3 :: 2.375 HE21 :: 6.913 HE22 :: 7.646 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.134 NE2 :: 112.893 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.631 HA :: 4.285 HB2 :: 1.695 HB3 :: 1.597 HG2 :: 1.358 HG3 :: 1.665 HD2 :: 2.877 HD3 :: 3.038 HE :: 7.505 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.132 NE :: 86.485 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 64.978 CB :: 69.109 CG2 :: 20.635 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.036 HA :: 3.831 HB :: 3.509 HG21 :: 0.463 HG22 :: 0.463 HG23 :: 0.463 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 125.523 Ave N Shift Values>> N :: 115.7(5.05) 1.H9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> CB :: 28.769 CD2 :: 119.649 CE1 :: 136.406 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.690 HA :: 4.761 HB2 :: 3.181 HB3 :: 3.106 HD1 :: 8.744 HD2 :: 7.206 HE1 :: 8.540 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.571 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> CB :: 40.533 CD1 :: 131.415 CE1 :: 131.458 CZ :: 129.322 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.703 HA :: 4.834 HB2 :: 2.779 HB3 :: 3.140 HD1 :: 7.362 HD2 :: 7.362 HE1 :: 7.524 HE2 :: 7.524 HZ :: 7.758 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.330 Ave N Shift Values>> N :: 120.69(4.18) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.42 V 0.4 C 0.07 M 0.04 L 0.02 I 0.02 C Shift Assignments>> CA :: 60.379 CG2 :: 21.797 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.165 HA :: 4.542 HG1 :: 5.830 HG21 :: 1.400 HG22 :: 1.400 HG23 :: 1.400 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.642 Ave N Shift Values>> N :: 115.7(5.05) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.887 CB :: 62.286 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.188 HA :: 4.187 HB2 :: 3.978 HB3 :: 3.978 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.602 Ave N Shift Values>> N :: 116.3(3.95) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.21 Q 0.2 E 0.08 R 0.08 I 0.04 P 0.02 M 0.01 C Shift Assignments>> CA :: 59.578 CB :: 27.914 CG :: 33.805 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.415 HA :: 4.053 HB2 :: 2.153 HB3 :: 1.990 HG2 :: 2.464 HG3 :: 2.464 HE21 :: 7.666 HE22 :: 6.795 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.969 NE2 :: 111.979 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.18 K 0.16 Q 0.14 I 0.12 R 0.02 C Shift Assignments>> CA :: 59.436 CB :: 27.965 CG :: 34.911 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.799 HA :: 3.833 HB2 :: 2.679 HB3 :: 1.627 HG2 :: 2.674 HG3 :: 2.684 HE21 :: 6.724 HE22 :: 8.001 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.255 NE2 :: 110.679 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 R 0.06 C Shift Assignments>> CA :: 57.893 CB :: 41.606 CG :: 26.943 CD1 :: 25.389 CD2 :: 23.269 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.299 HA :: 3.616 HB2 :: 1.815 HB3 :: 1.541 HG :: 1.677 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 121.98(4.07) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> CA :: 59.157 CB :: 28.507 CG :: 34.099 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.160 HA :: 3.992 HB2 :: 2.204 HB3 :: 2.142 HG2 :: 2.503 HG3 :: 2.393 HE21 :: 6.836 HE22 :: 7.485 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.025 NE2 :: 111.654 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.29 K 0.14 Q 0.11 I 0.08 M 0.04 C Shift Assignments>> CA :: 58.538 CB :: 29.450 CG :: 35.434 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.582 HA :: 4.181 HB2 :: 2.013 HB3 :: 1.852 HG2 :: 2.341 HG3 :: 2.244 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.789 Ave N Shift Values>> N :: 120.68(3.68) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 L 0.08 V 0.03 C Shift Assignments>> CA :: 58.570 CB :: 37.866 CG :: 26.168 CD1 :: 22.844 CD2 :: 22.439 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.313 HA :: 3.513 HB2 :: 0.479(S) HB3 :: -1.204(S) HG :: 1.148 HD11 :: -0.801(S) HD12 :: -0.801(S) HD13 :: -0.801(S) HD21 :: 0.424 HD22 :: 0.424 HD23 :: 0.424 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.483 Ave N Shift Values>> N :: 121.98(4.07) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Q 0.14 K 0.14 M 0.11 V 0.1 E 0.09 W 0.04 R 0.02 H 0.02 Y 0.01 I 0.01 C Shift Assignments>> CA :: 58.930 CG :: 34.095 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.257 HA :: 4.405 HB2 :: 1.970 HB3 :: 2.182 HG2 :: 2.359 HG3 :: 2.523 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.146 Ave N Shift Values>> N :: 120.68(3.68) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.35 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.184 CB :: 18.014 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.954 HA :: 4.180 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.611 Ave N Shift Values>> N :: 123.23(3.7) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 66.956 CB :: 68.338 CG2 :: 21.820 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.940 HA :: 4.103 HB :: 4.579 HG1 :: 5.355 HG21 :: 1.496 HG22 :: 1.496 HG23 :: 1.496 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.517 Ave N Shift Values>> N :: 115.7(5.05) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.42 W 0.01 H 0.01 HN Overlap>> 1.R54 1.R54 C Shift Assignments>> CA :: 61.742 CD1 :: 132.560 CE1 :: 130.465 CZ :: 128.357 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.839 HA :: 4.373 HB2 :: 3.377 HB3 :: 3.237 HD1 :: 7.188 HD2 :: 7.188 HE1 :: 7.035 HE2 :: 7.035 HZ :: 6.527 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.431 Ave N Shift Values>> N :: 120.69(4.18) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.24 R 0.09 E 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 57.406 CB :: 28.151 CG :: 33.705 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.921 HA :: 3.806 HB2 :: 2.270 HB3 :: 2.105 HG2 :: 2.776 HG3 :: 2.680 HE21 :: 7.106 HE22 :: 7.937 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 112.304 NE2 :: 113.480 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.14 G 0.08 C Shift Assignments>> CA :: 57.145 CB :: 31.565 CG :: 27.584 CD :: 43.514 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.408 HA :: 4.364 HB2 :: 1.925 HB3 :: 1.982 HG2 :: 1.798 HG3 :: 1.679 HD2 :: 3.251 HD3 :: 3.251 HE :: 7.295 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.707 NE :: 84.576 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.16 D 0.16 Y 0.07 F 0.05 L 0.02 E 0.01 C Shift Assignments>> CA :: 52.834 CB :: 38.563 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.251 HA :: 4.483 HB2 :: 2.743 HB3 :: 2.743 HD21 :: 6.616 HD22 :: 7.538 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.274 ND2 :: 108.572 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.21 G 0.02 C Shift Assignments>> CA :: 57.646 CB :: 31.003 CG :: 27.148 CD :: 42.635 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.400 HA :: 3.800 HB2 :: 1.280 HB3 :: 0.902 HG2 :: 0.931 HG3 :: -0.293(A) HD2 :: 1.709(S) HD3 :: 1.627(S) HE :: 6.369 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.408 NE :: 83.695 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.37 F 0.2 C Shift Assignments>> CA :: 55.691 CB :: 39.135 CD2 :: 133.508 CE2 :: 117.782 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.734 HA :: 4.658 HB2 :: 2.560 HB3 :: 3.136 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.805 HE2 :: 6.805 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.992 Ave N Shift Values>> N :: 120.79(4.69) 1.P28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.665 CB :: 31.053 CG :: 25.672 CD :: 50.694 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.411 HB2 :: 1.420 HB3 :: 1.568 HG2 :: 1.139 HG3 :: -0.124(S) HD2 :: 2.864 HD3 :: 2.962 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> CA :: 52.530 CB :: 40.573 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.467 HA :: 4.494 HB2 :: 3.232 HB3 :: 2.830 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.189 Ave N Shift Values>> N :: 120.73(4.2) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.29 Q 0.05 K 0.03 E 0.01 R 0.01 HN Overlap>> 1.N53 1.N53 C Shift Assignments>> CA :: 60.361 CB :: 32.022 CG :: 32.043 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.687 HA :: 3.861 HB2 :: 2.591 HB3 :: 2.450 HG2 :: 2.125 HG3 :: 2.125 HE1 :: 2.071 HE2 :: 2.071 HE3 :: 2.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.367 Ave N Shift Values>> N :: 120.1(3.88) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.815 CB :: 62.447 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.387 HA :: 4.245 HB2 :: 3.899 HB3 :: 3.899 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.279 Ave N Shift Values>> N :: 116.3(3.95) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> CA :: 66.957 CB :: 67.626 CG2 :: 20.933 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.406 HA :: 4.004 HB :: 4.176 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.829 Ave N Shift Values>> N :: 115.7(5.05) 1.R33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 G 0.2 R 0.16 K 0.1 C Shift Assignments>> CA :: 61.158 CB :: 32.455 CG :: 29.762 CD :: 43.552 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.955 HA :: 3.870 HB2 :: 2.444 HB3 :: 2.106 HG2 :: 0.647(S) HG3 :: 0.647(S) HD2 :: 3.498 HD3 :: 2.743 HE :: 9.343(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.944 NE :: 80.612 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.29 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> CA :: 59.831 CB :: 29.233 CG :: 36.666 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.608 HA :: 3.993 HB2 :: 2.303 HB3 :: 2.042 HG2 :: 2.569 HG3 :: 2.216 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.711 Ave N Shift Values>> N :: 120.68(3.68) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.24 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> CA :: 59.692 CB :: 29.352 CG :: 36.403 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.639 HA :: 3.997 HB2 :: 2.176 HB3 :: 2.021 HG2 :: 2.338 HG3 :: 2.039 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.133 Ave N Shift Values>> N :: 120.68(3.68) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> CA :: 64.728 CB :: 38.531 CG1 :: 28.419 CG2 :: 18.462 CD1 :: 14.960 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.415 HA :: 3.631 HB :: 1.907 HG12 :: 1.164 HG13 :: 1.890 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.761 Ave N Shift Values>> N :: 121.6(4.72) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.19 I 0.07 C 0.02 C Shift Assignments>> CA :: 55.709 CB :: 16.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.551 HA :: 3.681 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.272 Ave N Shift Values>> N :: 123.23(3.7) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> CA :: 66.484 CB :: 31.585 CG1 :: 21.137 CG2 :: 22.830 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.791 HA :: 3.818 HB :: 2.248 HG11 :: 0.966 HG12 :: 0.966 HG13 :: 0.966 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 121.02(4.96) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.41 H 0.02 C Shift Assignments>> CA :: 59.100 CB :: 29.815 CD1 :: 126.411 CE3 :: 120.736 CZ2 :: 114.621 CZ3 :: 121.912 CH2 :: 124.876 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.109 HA :: 4.631 HB2 :: 3.429 HB3 :: 3.479 HD1 :: 7.149 HE1 :: 10.220 HE3 :: 7.569 HZ2 :: 7.466 HZ3 :: 7.112 HH2 :: 7.251 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.237 NE1 :: 128.911 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.723 CB :: 71.088 CG2 :: 22.362 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.011 HA :: 4.374 HB :: 4.279 HG1 :: 4.085 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.809 Ave N Shift Values>> N :: 115.7(5.05) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.22 E 0.14 Y 0.13 F 0.07 M 0.04 D 0.04 I 0.01 K 0.01 C Shift Assignments>> CA :: 54.907 CB :: 37.285 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.925 HA :: 4.534 HB2 :: 2.894 HB3 :: 3.251 HD21 :: 6.887 HD22 :: 7.531 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.978 ND2 :: 112.226 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 G 0.42 A 0.05 L 0.01 HN Overlap>> 1.R55 1.R55 C Shift Assignments>> CA :: 53.068 CB :: 47.111 CG :: 23.922 CD1 :: 26.887 CD2 :: 25.947 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.635 HA :: 5.045 HB2 :: 1.674 HB3 :: 1.478 HG :: 1.122 HD11 :: 1.707(S) HD12 :: 1.707(S) HD13 :: 1.707(S) HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.124 Ave N Shift Values>> N :: 121.98(4.07) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.72 C 0.26 C Shift Assignments>> CA :: 59.511 CB :: 71.419 CG2 :: 22.313 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.081 HA :: 4.715 HB :: 4.715 HG21 :: 1.358 HG22 :: 1.358 HG23 :: 1.358 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 106.690 Ave N Shift Values>> N :: 115.7(5.05) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.27 E 0.1 K 0.01 C Shift Assignments>> CA :: 61.533 CB :: 28.416 CG :: 37.387 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.452 HA :: 3.630 HB2 :: 2.363 HB3 :: 1.935 HG2 :: 2.651 HG3 :: 2.138 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.087 Ave N Shift Values>> N :: 120.68(3.68) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.31 I 0.04 C 0.03 V 0.01 HN Overlap>> 1.I36 1.I36 C Shift Assignments>> CA :: 55.619 CB :: 18.599 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.467 HA :: 4.010 HB1 :: 1.495 HB2 :: 1.495 HB3 :: 1.495 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.687 Ave N Shift Values>> N :: 123.23(3.7) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.13 G 0.08 C Shift Assignments>> CA :: 59.034 CB :: 31.485 CG :: 27.611 CD :: 43.419 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.657 HA :: 4.313 HB2 :: 2.251 HB3 :: 2.146 HG2 :: 2.167 HG3 :: 1.988 HD2 :: 3.423 HD3 :: 3.392 HE :: 7.406 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.856 NE :: 85.808 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 67.308 CB :: 32.535 CG1 :: 22.328 CG2 :: 23.408 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.008 HA :: 3.764 HB :: 2.445 HG11 :: 1.175 HG12 :: 1.175 HG13 :: 1.175 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.046 Ave N Shift Values>> N :: 121.02(4.96) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.39 G 0.14 K 0.05 C Shift Assignments>> CA :: 60.608 CB :: 30.569 CG :: 26.125 CD :: 43.539 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.432 HA :: 3.934 HB2 :: 2.264 HB3 :: 2.113 HG2 :: 1.722 HG3 :: 1.587 HD2 :: 3.360 HD3 :: 3.360 HE :: 8.193 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.544 NE :: 83.040 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 67.087 CB :: 32.467 CG1 :: 24.364 CG2 :: 22.915 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.103 HA :: 3.642 HB :: 2.290 HG11 :: 1.125 HG12 :: 1.125 HG13 :: 1.125 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.747 Ave N Shift Values>> N :: 121.02(4.96) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CD1 :: 128.658 CE3 :: 120.869 CZ2 :: 113.726 CZ3 :: 120.758 CH2 :: 122.976 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.430 HA :: 4.883 HB2 :: 3.455 HB3 :: 3.217 HD1 :: 6.991 HE1 :: 9.314 HE3 :: 6.551 HZ2 :: 7.149 HZ3 :: 5.568 HH2 :: 6.432 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.857 NE1 :: 129.073 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 F 0.34 C 0.16 C Shift Assignments>> CA :: 63.608 CB :: 39.456 CD1 :: 132.161 CE1 :: 132.090 CZ :: 129.906 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.045 HA :: 3.715 HB2 :: 3.291 HB3 :: 3.291 HD1 :: 7.812 HD2 :: 7.812 HE1 :: 7.599 HE2 :: 7.599 HZ :: 7.453 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.314 Ave N Shift Values>> N :: 120.69(4.18) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.53 K 0.36 R 0.08 G 0.02 C Shift Assignments>> CA :: 60.667 CB :: 33.213 CD :: 29.980 CE :: 42.164 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.915 HA :: 3.942 HB2 :: 2.258 HB3 :: 1.972 HG2 :: 1.490 HG3 :: 1.102 HD2 :: 1.734 HD3 :: 1.493 HE2 :: 2.940 HE3 :: 2.687 HZ1 :: 7.483(U) HZ2 :: 7.483(U) HZ3 :: 7.483(U) Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.24 Y 0.22 F 0.16 N 0.11 E 0.08 D 0.07 I 0.04 L 0.02 M 0.01 HN Overlap>> 1.M30 1.M30 C Shift Assignments>> CA :: 56.168 CB :: 38.233 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.669 HA :: 4.506 HB2 :: 2.497 HB3 :: 2.882 HD21 :: 8.907 HD22 :: 8.425 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.377 ND2 :: 123.600(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.66 K 0.33 HN Overlap>> 1.F22 1.F22 C Shift Assignments>> CB :: 27.575 CG :: 23.837 CD :: 40.422 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.851 HA :: 3.682 HB2 :: -0.505(A) HB3 :: 0.669(S) HG2 :: -0.209(S) HG3 :: -0.597(A) HD2 :: 2.174(S) HD3 :: 2.430 HE :: 9.861(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.530 NE :: 89.969 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.3 G 0.11 K 0.08 I 0.05 HN Overlap>> 1.L42 1.L42 C Shift Assignments>> CA :: 61.263 CB :: 31.479 CD :: 43.141 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.620 HA :: 4.299 HB2 :: 2.237 HB3 :: 2.484 HG2 :: 2.001 HG3 :: 1.261 HD2 :: 2.624 HE :: 7.665 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.194 NE :: 83.170 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.24 I 0.06 C 0.02 C Shift Assignments>> CA :: 55.635 CB :: 17.490 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.386 HA :: 4.340 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.998 Ave N Shift Values>> N :: 123.23(3.7) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 L 0.02 C Shift Assignments>> CA :: 59.624 CG :: 25.012 CD :: 29.980 CE :: 41.868 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.716 HA :: 4.066 HB2 :: 1.957 HB3 :: 1.825 HG2 :: 1.454 HG3 :: 1.239 HD2 :: 1.698 HD3 :: 1.520 HE2 :: 2.853 HE3 :: 2.853 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.111 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 C 0.37 H 0.02 C Shift Assignments>> CA :: 60.423 CB :: 29.651 CD1 :: 127.612 CE3 :: 119.866 CZ2 :: 114.671 CZ3 :: 121.984 CH2 :: 124.592 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.362 HA :: 4.571 HB2 :: 3.410 HB3 :: 3.949 HD1 :: 7.488 HE1 :: 10.353 HE3 :: 7.705 HZ2 :: 7.473 HZ3 :: 7.183 HH2 :: 7.191 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.249 NE1 :: 130.508 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.28 G 0.21 K 0.06 C Shift Assignments>> CA :: 59.707 CB :: 31.292 CG :: 29.269 CD :: 44.035 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.464 HA :: 3.878 HB2 :: 2.205 HB3 :: 1.970 HG2 :: 2.191 HG3 :: 1.804 HD2 :: 3.592 HD3 :: 3.348 HE :: 7.473 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.543 NE :: 85.718 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.01 G 0.01 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> CA :: 58.299 CB :: 33.132 CG :: 25.314 CD :: 29.095 CE :: 42.193 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.770 HA :: 4.208 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 1.664 HG3 :: 1.527 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.025 HE3 :: 3.025 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.252 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.14 G 0.05 C Shift Assignments>> CA :: 56.217 CB :: 31.201 CG :: 27.051 CD :: 43.212 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.978 HA :: 4.403 HB2 :: 1.913 HB3 :: 1.844 HG2 :: 1.637 HG3 :: 1.637 HD2 :: 3.104 HD3 :: 3.104 HE :: 7.278 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.854 NE :: 84.710 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.07 K 0.07 M 0.07 Q 0.02 C Shift Assignments>> CA :: 56.923 CB :: 30.001 CG :: 36.596 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.078 HA :: 3.983 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 2.030 HG3 :: 2.030 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.450 Ave N Shift Values>> N :: 120.68(3.68) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.09 K 0.08 M 0.06 Q 0.03 C Shift Assignments>> CA :: 57.450 CB :: 29.897 CG :: 36.449 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.889 HA :: 3.774 HB2 :: 1.716 HB3 :: 1.342 HG2 :: 2.052 HG3 :: 1.853 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.134 Ave N Shift Values>> N :: 120.68(3.68) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.35 C 0.27 C Shift Assignments>> CA :: 56.961 CB :: 39.297 CD2 :: 131.804 CE2 :: 131.760 CZ :: 129.932 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.731 HA :: 4.578 HB2 :: 3.037 HB3 :: 3.037 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.295 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.794 Ave N Shift Values>> N :: 120.69(4.18) 1.I65 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>> CA :: 60.934 CB :: 38.543 CG1 :: 27.181 CG2 :: 17.316 CD1 :: 12.531 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.802 HA :: 4.130 HB :: 1.794 HG12 :: 1.397 HG13 :: 1.108 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.529 Ave N Shift Values>> N :: 121.6(4.72) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> CA :: 62.225 CB :: 32.811 CG1 :: 20.994 CG2 :: 21.303 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.292 HA :: 4.197 HB :: 2.097 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.799 Ave N Shift Values>> N :: 121.02(4.96) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 61.236 CB :: 70.114 CG2 :: 21.272 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.353 HA :: 4.440 HB :: 4.290 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.825 Ave N Shift Values>> N :: 115.7(5.05) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.2 R 0.14 D 0.12 C 0.1 F 0.09 Y 0.06 N 0.01 C Shift Assignments>> CA :: 55.922 CB :: 42.144 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.003 HA :: 4.426 HB2 :: 2.690 HB3 :: 2.577 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.451 Ave N Shift Values>> N :: 120.73(4.2) 2.DC1 Overall Status: Residue type DC not supported. 2.DT2 Overall Status: Residue type DT not supported. 2.DC3 Overall Status: Residue type DC not supported. 2.DT4 Overall Status: Residue type DT not supported. 2.DA5 Overall Status: Residue type DA not supported. 2.DA6 Overall Status: Residue type DA not supported. 2.DT7 Overall Status: Residue type DT not supported. 2.DC8 Overall Status: Residue type DC not supported. 2.DC9 Overall Status: Residue type DC not supported. 2.DC10 Overall Status: Residue type DC not supported. 2.DC11 Overall Status: Residue type DC not supported. 3.DG1 Overall Status: Residue type DG not supported. 3.DG2 Overall Status: Residue type DG not supported. 3.DG3 Overall Status: Residue type DG not supported. 3.DG4 Overall Status: Residue type DG not supported. 3.DA5 Overall Status: Residue type DA not supported. 3.DT6 Overall Status: Residue type DT not supported. 3.DT7 Overall Status: Residue type DT not supported. 3.DA8 Overall Status: Residue type DA not supported. 3.DG9 Overall Status: Residue type DG not supported. 3.DA10 Overall Status: Residue type DA not supported. 3.DG11 Overall Status: Residue type DG not supported. ########################################################################### Overall Results: #Consistent: 60 #Clerical: 1 #Suspicious: 5 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 66 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 68 #Suspicious: 0 C Shift Results: #Consistent: 225 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 495 #Duplicate: 0 #Unknown: 3 #Suspicious: 18 #Anomalous: 3 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L18 HB2 = 0.479(S), Expected = 1.63, Std = 0.3400, ChiSquare = 7.1102e-04 1.L18 HB3 = -1.204(S), Expected = 1.57, Std = 0.3600, ChiSquare = 1.3028e-14 1.L18 HD11 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.L18 HD12 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.L18 HD13 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.R26 HG3 = -0.293(A), Expected = 1.58, Std = 0.2700, ChiSquare = 4.0041e-12 1.R26 HD2 = 1.709(S), Expected = 3.13, Std = 0.2300, ChiSquare = 6.4812e-10 1.R26 HD3 = 1.627(S), Expected = 3.13, Std = 0.2200, ChiSquare = 8.3845e-12 1.P28 HG3 = -0.124(S), Expected = 1.92, Std = 0.3700, ChiSquare = 3.3076e-08 1.R33 HG2 = 0.647(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.4916e-04 1.R33 HG3 = 0.647(S), Expected = 1.58, Std = 0.2700, ChiSquare = 5.4916e-04 1.R33 HE = 9.343(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.0009e-04 1.L42 HD11 = 1.707(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1974e-04 1.L42 HD12 = 1.707(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1974e-04 1.L42 HD13 = 1.707(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.1974e-04 1.K52 HZ1 = 7.483(U) 1.K52 HZ2 = 7.483(U) 1.K52 HZ3 = 7.483(U) 1.N53 ND2 = 123.600(S), Expected = 112.83, Std = 2.6000, ChiSquare = 3.4383e-05 1.R54 HB2 = -0.505(A), Expected = 1.79, Std = 0.2800, ChiSquare = 2.4763e-16 1.R54 HB3 = 0.669(S), Expected = 1.78, Std = 0.2800, ChiSquare = 7.2522e-05 1.R54 HG2 = -0.209(S), Expected = 1.58, Std = 0.2700, ChiSquare = 3.4508e-11 1.R54 HG3 = -0.597(A), Expected = 1.58, Std = 0.2700, ChiSquare = 7.4467e-16 1.R54 HD2 = 2.174(S), Expected = 3.13, Std = 0.2300, ChiSquare = 3.2313e-05 1.R54 HE = 9.861(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.0262e-06