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.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.68 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.908 CA :: 44.787 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.329 HA3 :: 3.329 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.17 Q 0.16 I 0.04 C Shift Assignments>> C :: 175.920 CA :: 56.316 CB :: 29.809 CG :: 35.936 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 :: 8.052 HA :: 4.147 HB2 :: 1.719 HB3 :: 1.703 HG2 :: 2.020 HG3 :: 1.998 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 :: 120.024 Ave N Shift Values>> N :: 120.67(3.48) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.390 CA :: 58.207 CB :: 40.411 CD2 :: 134.572 CE1 :: 118.969 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 :: 8.291 HA :: 4.321 HB2 :: 2.940 HB3 :: 2.387 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.743 HE2 :: 6.743 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 :: 120.819 Ave N Shift Values>> N :: 120.52(4.2) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.961 CA :: 62.060 CB :: 71.009 CG2 :: 21.462 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 :: 8.818 HA :: 4.480 HB :: 4.310 HG21 :: 1.373 HG22 :: 1.373 HG23 :: 1.373 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 :: 120.278 Ave N Shift Values>> N :: 115.42(4.75) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.76 K 0.08 I 0.08 Q 0.05 C Shift Assignments>> C :: 176.368 CA :: 56.993 CB :: 30.152 CG :: 36.673 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 :: 9.031 HA :: 4.798 HB2 :: 2.047 HB3 :: 1.874 HG2 :: 2.299 HG3 :: 2.299 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 :: 128.976 Ave N Shift Values>> N :: 120.67(3.48) 1.I7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 173.792 CA :: 59.574 CB :: 40.927 CG1 :: 24.647 CG2 :: 18.329 CD1 :: 12.393 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 :: 8.223 HA :: 4.528 HB :: 1.142 HG12 :: 0.879 HG13 :: 0.478 HG21 :: 0.018 HG22 :: 0.018 HG23 :: 0.018 HD11 :: -0.530(S) HD12 :: -0.530(S) HD13 :: -0.530(S) 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 :: 119.197 Ave N Shift Values>> N :: 121.46(4.28) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 175.443 CA :: 50.133 CB :: 20.647 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.077 HA :: 4.464 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.814 Ave N Shift Values>> N :: 123.23(3.54) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.04 C Shift Assignments>> C :: 175.827 CA :: 51.936 CB :: 40.410 CG :: 26.883 CD1 :: 23.908 CD2 :: 25.154 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 :: 8.083 HA :: 4.325 HB2 :: 1.082 HB3 :: 1.431 HG :: 1.543 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.504 HD22 :: 0.504 HD23 :: 0.504 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 :: 118.015 Ave N Shift Values>> N :: 121.86(3.9) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 A 0.11 S 0.02 C Shift Assignments>> C :: 174.998 CA :: 62.551 CB :: 35.169 CG :: 25.017 CD :: 50.709 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 :: 4.499 HB2 :: 2.060 HB3 :: 2.425 HG2 :: 1.834 HG3 :: 1.849 HD2 :: 3.539 HD3 :: 3.438 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.F11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.85 Y 0.08 F 0.06 C Shift Assignments>> C :: 173.700 CA :: 56.997 CB :: 44.943 CD2 :: 130.113 CE2 :: 132.453 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 :: 9.154 HA :: 4.836 HB2 :: 3.414 HB3 :: 2.171 HD1 :: 6.553 HD2 :: 6.553 HE1 :: 6.006(S) HE2 :: 6.006(S) 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 :: 123.368 Ave N Shift Values>> N :: 120.45(4.18) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 170.447 CA :: 56.771 CB :: 65.912 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.165 HA :: 4.478 HB2 :: 3.535 HB3 :: 3.507 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 :: 121.346 Ave N Shift Values>> N :: 116.28(3.52) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.84 G 0.12 Y 0.02 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 171.701 CA :: 59.015 CB :: 42.983 CD1 :: 129.608 CE2 :: 118.065 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 :: 8.065 HA :: 3.921 HB2 :: 2.196 HB3 :: 2.066 HD1 :: 6.586 HD2 :: 6.586 HE1 :: 6.846 HE2 :: 6.846 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 :: 121.159 Ave N Shift Values>> N :: 120.52(4.2) 1.D14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 D 0.02 C Shift Assignments>> C :: 174.396 CA :: 52.604 CB :: 44.883 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 :: 6.540 HA :: 5.663(S) HB2 :: 2.586 HB3 :: 2.144 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 :: 124.099 Ave N Shift Values>> N :: 120.65(3.86) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.28 R 0.18 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.871 CA :: 44.310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.370 HA2 :: 4.643 HA3 :: 4.076 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.993 Ave N Shift Values>> N :: 109.67(3.87) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 L 0.01 C Shift Assignments>> C :: 177.701 CA :: 51.422 CB :: 20.153 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.601 HA :: 4.248 HB1 :: 1.079 HB2 :: 1.079 HB3 :: 1.079 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.329 Ave N Shift Values>> N :: 123.23(3.54) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 170.838 CA :: 44.376 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.948 HA2 :: 4.536 HA3 :: 3.687 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.862 Ave N Shift Values>> N :: 109.67(3.87) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.75 Q 0.2 K 0.03 C Shift Assignments>> C :: 173.813 CA :: 54.046 CB :: 31.554 CG :: 35.799 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 :: 7.403 HA :: 5.331 HB2 :: 1.761 HB3 :: 1.554 HG2 :: 1.897 HG3 :: 2.094 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 :: 120.184 Ave N Shift Values>> N :: 120.67(3.48) 1.Y19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.58 F 0.21 G 0.19 C Shift Assignments>> C :: 172.448 CA :: 56.417 CB :: 42.943 CD1 :: 134.046 CE2 :: 118.209 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 :: 8.451 HA :: 4.359 HB2 :: 1.644(S) HB3 :: 0.651(S) HD1 :: 6.518 HD2 :: 6.518 HE1 :: 6.085 HE2 :: 6.085 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 :: 123.009 Ave N Shift Values>> N :: 120.52(4.2) 1.Y20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.76 F 0.23 C Shift Assignments>> C :: 175.013 CA :: 56.665 CB :: 38.384 CD1 :: 133.784 CE2 :: 116.916 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 :: 7.854 HA :: 4.886 HB2 :: 2.227 HB3 :: 1.505(S) HD1 :: 6.921 HD2 :: 6.921 HE1 :: 6.038 HE2 :: 6.038 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 :: 120.185 Ave N Shift Values>> N :: 120.52(4.2) 1.W21 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.760 CA :: 55.067 CB :: 33.274 CD1 :: 126.335 CE3 :: 121.467 CZ2 :: 114.573 CZ3 :: 120.753 CH2 :: 122.996 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.635 HA :: 6.259 HB2 :: 2.883 HB3 :: 2.782 HD1 :: 6.878 HE1 :: 9.707 HE3 :: 6.988 HZ2 :: 5.647(S) HZ3 :: 6.555 HH2 :: 5.481(S) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.429 NE1 :: 128.543 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HZ2 > HA : 0.9986) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.57 R 0.23 A 0.12 G 0.06 C Shift Assignments>> C :: 173.598 CA :: 53.883 CB :: 37.149 CG :: 24.136 CD :: 30.160 CE :: 41.900 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 :: 8.940 HA :: 5.924(S) HB2 :: 1.304 HB3 :: 1.151 HG2 :: 0.931 HG3 :: 0.866 HD2 :: 1.257 HD3 :: 0.816(S) HE2 :: 2.436 HE3 :: 2.356 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 :: 118.753 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 171.429 CA :: 60.115 CB :: 69.013 CG2 :: 19.319 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 :: 8.397 HA :: 5.014 HB :: 4.358 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 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 :: 114.250 Ave N Shift Values>> N :: 115.42(4.75) 1.D24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.49 D 0.25 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 178.653 CA :: 53.196 CB :: 39.284 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 :: 8.436 HA :: 5.183 HB2 :: 2.774 HB3 :: 0.942(S) 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 :: 127.332 Ave N Shift Values>> N :: 120.65(3.86) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.85 E 0.14 C Shift Assignments>> C :: 175.754 CA :: 55.958 CB :: 29.545 CG :: 33.489 CD :: 180.495 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 :: 8.129 HA :: 4.378 HB2 :: 2.598 HB3 :: 1.597 HG2 :: 2.496 HG3 :: 2.422 HE21 :: 6.628 HE22 :: 7.644 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 :: 117.179 NE2 :: 113.942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.55 F 0.21 W 0.17 H 0.05 C Shift Assignments>> C :: 175.288 CA :: 56.631 CB :: 36.818 CD2 :: 128.409 CE1 :: 128.837 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 :: 5.917(S) HA :: 3.621 HB2 :: -0.463(A) HB3 :: 1.501(S) HD1 :: 6.122 HD2 :: 6.122 HE1 :: 6.581 HE2 :: 6.581 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 :: 121.310 Ave N Shift Values>> N :: 120.45(4.18) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.515 CA :: 57.792 CB :: 64.089 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.439 HA :: 4.174 HB2 :: 3.592 HB3 :: 3.550 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 :: 112.855 Ave N Shift Values>> N :: 116.28(3.52) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.352 CA :: 60.051 CB :: 69.454 CG2 :: 21.803 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 :: 8.290 HA :: 4.383 HB :: 4.150 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 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 :: 114.450 Ave N Shift Values>> N :: 115.42(4.75) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.25 N 0.13 K 0.06 R 0.06 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 174.783 CA :: 51.116 CB :: 42.138 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 :: 7.548 HA :: 4.749 HB2 :: 2.779 HB3 :: 2.610 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 :: 124.896 Ave N Shift Values>> N :: 120.65(3.86) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.567 CA :: 63.081 CB :: 32.334 CG :: 27.346 CD :: 51.143 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 :: 4.597 HB2 :: 2.328 HB3 :: 1.868 HG2 :: 2.114 HG3 :: 2.034 HD2 :: 4.134 HD3 :: 3.910 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.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.37 C Shift Assignments>> C :: 174.308 CA :: 52.423 CB :: 39.406 CG :: 177.892 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 :: 7.951 HA :: 4.681 HB2 :: 2.880 HB3 :: 2.557 HD21 :: 6.921 HD22 :: 7.858 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 :: 112.921 ND2 :: 115.468 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.27 K 0.13 N 0.09 F 0.06 R 0.04 Y 0.04 C Shift Assignments>> C :: 176.137 CA :: 53.409 CB :: 41.777 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 :: 7.342 HA :: 4.720 HB2 :: 3.084 HB3 :: 2.385 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 :: 119.376 Ave N Shift Values>> N :: 120.65(3.86) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.085 CA :: 56.654 CB :: 28.780 CD1 :: 126.092 CE3 :: 120.199 CZ2 :: 115.432 CZ3 :: 120.272 CH2 :: 123.690 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.864 HA :: 4.596 HB2 :: 2.748 HB3 :: 3.660 HD1 :: 6.533 HE1 :: 10.120 HE3 :: 7.236 HZ2 :: 7.190 HZ3 :: 7.702 HH2 :: 7.421 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.837 NE1 :: 129.327 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S66 1.S66 C Shift Assignments>> C :: 174.646 CA :: 60.164 CB :: 64.407 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.762 HA :: 4.747 HB2 :: 4.017 HB3 :: 4.004 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 :: 116.299 Ave N Shift Values>> N :: 116.28(3.52) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 Q 0.19 H 0.13 K 0.12 W 0.12 E 0.09 R 0.06 I 0.03 C Shift Assignments>> CA :: 56.258 CB :: 27.630 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 :: 7.413 HA :: 4.198 HB2 :: 1.564 HB3 :: 1.293 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 :: 113.775 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.Y36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> C :: 173.097 CA :: 54.721 CB :: 41.557 CD2 :: 134.130 CE1 :: 118.091 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 :: 5.977 HA :: 4.313 HB2 :: 1.661(S) HB3 :: 2.961 HD1 :: 6.532 HD2 :: 6.532 HE1 :: 6.955 HE2 :: 6.955 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 :: 120.958 Ave N Shift Values>> N :: 120.52(4.2) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.534 CA :: 61.126 CB :: 33.825 CG1 :: 20.381 CG2 :: 22.018 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.876 HA :: 4.602 HB :: 1.635 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.432 HG22 :: 0.432 HG23 :: 0.432 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.988 Ave N Shift Values>> N :: 121.14(4.54) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.54 N 0.37 G 0.08 C Shift Assignments>> C :: 173.082 CA :: 51.455 CB :: 42.347 CG :: 176.846 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 :: 8.751 HA :: 5.777 HB2 :: 2.821 HB3 :: 2.699 HD21 :: 5.785 HD22 :: 7.533 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 :: 120.543 ND2 :: 111.912 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 S 0.31 C Shift Assignments>> C :: 173.117 CA :: 57.096 CB :: 67.585 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.964 HA :: 4.818 HB2 :: 4.200 HB3 :: 4.127 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 :: 114.680 Ave N Shift Values>> N :: 116.28(3.52) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.84 H 0.15 C Shift Assignments>> C :: 174.736 CA :: 57.036 CB :: 29.956 CD1 :: 125.144 CZ2 :: 115.020 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.333 HA :: 4.877 HB2 :: 3.615 HB3 :: 2.779 HD1 :: 7.238 HE1 :: 10.148 HZ2 :: 7.410 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 113.153 NE1 :: 131.223 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.81 D 0.17 C Shift Assignments>> C :: 173.484 CA :: 55.014 CB :: 37.757 CG :: 177.212 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 :: 8.990 HA :: 4.342 HB2 :: 2.938 HB3 :: 3.165 HD21 :: 7.039 HD22 :: 7.328 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 :: 110.513 ND2 :: 111.463 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 L 0.32 A 0.07 G 0.02 K 0.01 C Shift Assignments>> C :: 177.774 CA :: 54.605 CB :: 42.152 CG :: 26.318 CD1 :: 28.670 CD2 :: 23.250 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 :: 9.482 HA :: 4.367 HB2 :: 1.700 HB3 :: 1.115 HG :: 1.765 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.492 HD22 :: 0.492 HD23 :: 0.492 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 :: 116.580 Ave N Shift Values>> N :: 121.86(3.9) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.2 F 0.15 Y 0.11 R 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 176.331 CA :: 55.967 CB :: 41.401 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 :: 8.072 HA :: 4.560 HB2 :: 2.508 HB3 :: 2.019 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 :: 119.371 Ave N Shift Values>> N :: 120.65(3.86) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.37 A 0.12 C Shift Assignments>> C :: 173.917 CA :: 54.881 CB :: 46.531 CG :: 27.100 CD1 :: 25.769 CD2 :: 22.696 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 :: 7.695 HA :: 4.635 HB2 :: 1.246 HB3 :: 1.114 HG :: 1.087 HD11 :: 0.329 HD12 :: 0.329 HD13 :: 0.329 HD21 :: 0.681 HD22 :: 0.681 HD23 :: 0.681 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 :: 119.034 Ave N Shift Values>> N :: 121.86(3.9) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 L 0.35 G 0.14 C Shift Assignments>> C :: 174.755 CA :: 54.735 CB :: 43.570 CG :: 28.451 CD1 :: 26.720 CD2 :: 24.926 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 :: 8.691 HA :: 5.063 HB2 :: 1.929 HB3 :: 1.442 HG :: 1.381 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 1.049 HD22 :: 1.049 HD23 :: 1.049 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 :: 128.500 Ave N Shift Values>> N :: 121.86(3.9) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.84 Q 0.15 C Shift Assignments>> C :: 176.451 CA :: 53.415 CB :: 33.832 CG :: 35.831 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 :: 9.063 HA :: 5.539 HB2 :: 1.991 HB3 :: 1.837 HG2 :: 2.147 HG3 :: 2.147 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 :: 125.115 Ave N Shift Values>> N :: 120.67(3.48) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.960 CA :: 60.651 CB :: 39.484 CG1 :: 27.751 CG2 :: 18.012 CD1 :: 13.412 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 :: 9.190 HA :: 5.382 HB :: 2.137 HG12 :: 1.792 HG13 :: 1.167 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 121.110 Ave N Shift Values>> N :: 121.46(4.28) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 E 0.3 Y 0.11 F 0.07 K 0.05 Q 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 175.657 CA :: 54.179 CB :: 36.426 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 :: 9.776 HA :: 4.654 HB2 :: 3.169 HB3 :: 3.169 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 :: 127.017 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.905 CA :: 45.572 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.872 HA2 :: 4.215 HA3 :: 3.625 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.138 Ave N Shift Values>> N :: 109.67(3.87) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 171.890 CA :: 61.985 CB :: 69.974 CG2 :: 20.575 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 :: 7.938 HA :: 4.381 HB :: 4.153 HG21 :: 0.803 HG22 :: 0.803 HG23 :: 0.803 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 :: 119.239 Ave N Shift Values>> N :: 115.42(4.75) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.21 F 0.13 Y 0.09 R 0.05 N 0.03 HN Overlap>> 1.W56 1.W56 C Shift Assignments>> C :: 175.150 CA :: 55.746 CB :: 41.600 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 :: 8.369 HA :: 4.335 HB2 :: 2.802 HB3 :: 2.573 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 :: 126.179 Ave N Shift Values>> N :: 120.65(3.86) 1.Y52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 F 0.24 C Shift Assignments>> C :: 175.452 CA :: 57.243 CB :: 39.015 CD2 :: 133.798 CE2 :: 117.951 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 :: 9.116 HA :: 4.715 HB2 :: 3.279 HB3 :: 2.183 HD1 :: 6.915 HD2 :: 6.915 HE1 :: 6.659 HE2 :: 6.659 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 :: 128.164 Ave N Shift Values>> N :: 120.52(4.2) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.755 CA :: 66.927 CB :: 68.230 CG2 :: 21.786 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 :: 8.564 HA :: 3.509 HB :: 4.047 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 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 :: 119.665 Ave N Shift Values>> N :: 115.42(4.75) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 E 0.31 Y 0.13 F 0.08 K 0.04 D 0.02 Q 0.02 I 0.01 C Shift Assignments>> C :: 174.829 CA :: 54.449 CB :: 36.567 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 :: 7.960 HA :: 4.961 HB2 :: 3.162 HB3 :: 3.162 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 :: 124.285 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 173.256 CA :: 59.784 CB :: 36.068 CG1 :: 21.068 CG2 :: 18.969 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.032 HA :: 5.013 HB :: 2.198 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.419 Ave N Shift Values>> N :: 121.14(4.54) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> C :: 176.942 CA :: 58.118 CB :: 31.732 CD1 :: 126.630 CE3 :: 121.543 CZ2 :: 114.984 CZ3 :: 121.472 CH2 :: 124.363 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.371 HA :: 5.113 HB2 :: 2.852 HB3 :: 3.339 HD1 :: 7.016 HE1 :: 10.148 HE3 :: 7.458 HZ2 :: 6.860 HZ3 :: 7.208 HH2 :: 6.982 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.216 NE1 :: 131.215 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.514 CA :: 60.190 CB :: 34.999 CG1 :: 20.712 CG2 :: 19.069 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.909 HA :: 4.550 HB :: 1.853 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.550 HG22 :: 0.550 HG23 :: 0.550 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.202 Ave N Shift Values>> N :: 121.14(4.54) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 177.856 CA :: 52.009 CB :: 17.761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.367 HA :: 3.517 HB1 :: 0.778 HB2 :: 0.778 HB3 :: 0.778 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.048 Ave N Shift Values>> N :: 123.23(3.54) 1.Q59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.33 K 0.27 E 0.15 I 0.13 R 0.09 C Shift Assignments>> C :: 178.100 CA :: 59.446 CB :: 27.789 CG :: 34.419 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 :: 7.958 HA :: 3.129 HB2 :: 1.553 HB3 :: 1.269 HG2 :: 1.007(S) HG3 :: 0.588(S) HE21 :: 7.780 HE22 :: 5.022(S) 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 :: 121.839 NE2 :: 111.085 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 H 0.44 C Shift Assignments>> C :: 175.661 CA :: 57.869 CB :: 27.468 CD2 :: 120.954 CE1 :: 136.238 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 :: 7.930 HA :: 4.383 HB2 :: 2.760 HB3 :: 2.460 HD2 :: 6.656 HE1 :: 8.412 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 :: 110.955 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 Q 0.44 C Shift Assignments>> C :: 175.195 CA :: 56.209 CB :: 29.619 CG :: 35.557 CD :: 180.199 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 :: 7.154 HA :: 4.281 HB2 :: 2.196 HB3 :: 2.048 HG2 :: 1.757 HG3 :: 1.757 HE21 :: 7.742 HE22 :: 7.165 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 :: 119.054 NE2 :: 112.043 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.975 CA :: 58.710 CB :: 39.140 CG1 :: 25.404 CG2 :: 17.332 CD1 :: 14.587 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 :: 7.871 HA :: 4.624 HB :: 2.167 HG12 :: 1.352 HG13 :: 0.681 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 HD11 :: 0.263 HD12 :: 0.263 HD13 :: 0.263 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 :: 122.356 Ave N Shift Values>> N :: 121.46(4.28) 1.P63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.922 CA :: 63.088 CB :: 32.073 CG :: 26.681 CD :: 51.073 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 :: 2.915(S) HB2 :: 1.989 HB3 :: 1.622 HG2 :: 1.880 HG3 :: 1.740 HD2 :: 4.087 HD3 :: 3.817 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.A64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 177.904 CA :: 51.855 CB :: 18.262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.288 HA :: 1.903(S) HB1 :: 0.209(S) HB2 :: 0.209(S) HB3 :: 0.209(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.742 Ave N Shift Values>> N :: 123.23(3.54) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 HN Overlap>> 1.Y13 1.Y13 C Shift Assignments>> C :: 179.601 CA :: 51.816 CB :: 18.489 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.000 HA :: 4.339 HB1 :: 1.597 HB2 :: 1.597 HB3 :: 1.597 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.248 Ave N Shift Values>> N :: 123.23(3.54) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S34 1.S34 C Shift Assignments>> C :: 174.166 CA :: 61.453 CB :: 62.790 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.765 HA :: 4.004 HB2 :: 3.885 HB3 :: 3.885 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 :: 116.209 Ave N Shift Values>> N :: 116.28(3.52) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.35 L 0.13 F 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.890 CA :: 52.724 CB :: 40.263 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 :: 7.670 HA :: 4.506 HB2 :: 3.087 HB3 :: 2.511 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 :: 117.806 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.180 CA :: 44.982 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.017 HA2 :: 4.027 HA3 :: 3.153 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.268 Ave N Shift Values>> N :: 109.67(3.87) 1.Y69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.73 Y 0.25 C Shift Assignments>> C :: 174.360 CA :: 57.874 CB :: 41.805 CD1 :: 130.963 CE2 :: 129.127(S) 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 :: 7.462 HA :: 4.318 HB2 :: 2.950 HB3 :: 1.654 HD1 :: 5.993 HD2 :: 5.993 HE1 :: 5.583(S) HE2 :: 5.583(S) 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 :: 115.861 Ave N Shift Values>> N :: 120.52(4.2) 1.W70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 174.191 CA :: 59.600 CB :: 30.749 CD1 :: 126.026 CE3 :: 120.909 CZ2 :: 116.884 CZ3 :: 125.954 CH2 :: 124.382 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.817 HA :: 4.536 HB2 :: 1.811(S) HB3 :: 2.332 HD1 :: 6.084 HE1 :: 9.885 HE3 :: 7.822 HZ2 :: 7.607 HZ3 :: 6.877 HH2 :: 6.741 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.934 NE1 :: 130.128 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 Y 0.24 C Shift Assignments>> C :: 175.751 CA :: 58.442 CB :: 38.158 CD2 :: 130.260 CE2 :: 117.978 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 :: 8.638 HA :: 4.464 HB2 :: 2.898 HB3 :: 2.556 HD1 :: 6.553 HD2 :: 6.553 HE1 :: 6.558 HE2 :: 6.558 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 :: 122.166 Ave N Shift Values>> N :: 120.52(4.2) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 173.326 CA :: 61.305 CB :: 41.441 CG1 :: 28.898 CG2 :: 19.732 CD1 :: 15.580 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 :: 10.254 HA :: 5.141 HB :: 2.211 HG12 :: 1.656 HG13 :: 1.057 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 127.251 Ave N Shift Values>> N :: 121.46(4.28) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.56 H 0.12 R 0.1 W 0.07 K 0.04 Q 0.04 E 0.02 C Shift Assignments>> C :: 171.299 CA :: 51.567 CB :: 31.251 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 :: 9.544 HA :: 5.410 HB2 :: 3.288 HB3 :: 3.120 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 :: 127.292 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 F 0.17 Y 0.13 C Shift Assignments>> C :: 174.332 CA :: 55.944 CB :: 44.439 CD2 :: 132.468 CE2 :: 117.974 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 :: 8.530 HA :: 4.780 HB2 :: 2.479 HB3 :: 2.156 HD1 :: 6.551 HD2 :: 6.551 HE1 :: 6.406 HE2 :: 6.406 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 :: 130.788 Ave N Shift Values>> N :: 120.52(4.2) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.45 G 0.01 C Shift Assignments>> C :: 174.578 CA :: 56.430 CB :: 36.859 CG :: 25.613 CD :: 29.556 CE :: 41.844 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 :: 8.679 HA :: 4.978 HB2 :: 1.646 HB3 :: 1.146 HG2 :: 1.068 HG3 :: 1.010 HD2 :: 1.462 HD3 :: 1.341 HE2 :: 2.771 HE3 :: 2.716 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 :: 126.369 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.441 CA :: 56.422 CB :: 65.935 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.913 HA :: 4.472 HB2 :: 3.512 HB3 :: 3.539 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 :: 119.334 Ave N Shift Values>> N :: 116.28(3.52) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.872 CA :: 44.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.529 HA2 :: 4.369 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.691 Ave N Shift Values>> N :: 109.67(3.87) 1.V78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.47 A 0.35 I 0.16 C Shift Assignments>> C :: 177.104 CA :: 58.570 CB :: 35.747 CG1 :: 22.160 CG2 :: 17.168 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.638 HA :: 4.509 HB :: 0.430(S) HG11 :: 0.595 HG12 :: 0.595 HG13 :: 0.595 HG21 :: 0.314 HG22 :: 0.314 HG23 :: 0.314 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.634 Ave N Shift Values>> N :: 121.14(4.54) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.591 CA :: 60.813 CB :: 62.735 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.572 HA :: 4.088 HB2 :: 3.883 HB3 :: 3.883 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 :: 118.159 Ave N Shift Values>> N :: 116.28(3.52) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.228 CA :: 55.963 CB :: 26.812 CD1 :: 128.475 CE3 :: 120.737 CZ2 :: 115.169 CZ3 :: 122.312 CH2 :: 124.485 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.443 HA :: 4.962 HB2 :: 3.461 HB3 :: 3.344 HD1 :: 7.044 HE1 :: 10.129 HE3 :: 7.630 HZ2 :: 7.658 HZ3 :: 7.193 HH2 :: 7.391 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 114.568 NE1 :: 129.337 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 172.901 CA :: 46.764 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.081 HA2 :: 4.176 HA3 :: 3.656 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.175 Ave N Shift Values>> N :: 109.67(3.87) 1.H82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.25 R 0.2 H 0.19 W 0.12 Q 0.11 E 0.09 V 0.01 C Shift Assignments>> C :: 173.129 CA :: 55.203 CB :: 32.250 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 :: 8.272 HA :: 5.691 HB2 :: 2.746 HB3 :: 1.119(S) 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 :: 122.767 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 170.559 CA :: 59.023 CB :: 35.661 CG1 :: 22.671 CG2 :: 21.081 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.312 HA :: 4.734 HB :: 2.254 HG11 :: 1.077 HG12 :: 1.077 HG13 :: 1.077 HG21 :: 1.043 HG22 :: 1.043 HG23 :: 1.043 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.436 Ave N Shift Values>> N :: 121.14(4.54) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.95 Q 0.04 C Shift Assignments>> C :: 172.832 CA :: 54.534 CB :: 33.797 CG :: 36.497 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 :: 8.646 HA :: 4.861 HB2 :: 1.850 HB3 :: 1.996 HG2 :: 2.218 HG3 :: 2.218 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 :: 121.026 Ave N Shift Values>> N :: 120.67(3.48) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.732 CA :: 60.982 CB :: 40.141 CG1 :: 27.138 CG2 :: 20.029 CD1 :: 13.698 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 :: 8.868 HA :: 4.251 HB :: 1.685 HG12 :: 0.944 HG13 :: 1.456 HG21 :: 0.437 HG22 :: 0.437 HG23 :: 0.437 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 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 :: 121.955 Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.38 G 0.01 A 0.01 C Shift Assignments>> C :: 179.989 CA :: 56.085 CB :: 33.614 CG :: 23.796 CD :: 27.339 CE :: 42.114 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 :: 7.126 HA :: 3.943 HB2 :: 1.866 HB3 :: 1.076 HG2 :: 0.602 HG3 :: 0.921 HD2 :: 1.445 HD3 :: 1.430 HE2 :: 2.944 HE3 :: 2.835 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 :: 128.344 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 69 #Clerical: 0 #Suspicious: 16 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 85 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 1 C Shift Results: #Consistent: 367 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 538 #Duplicate: 0 #Unknown: 0 #Suspicious: 30 #Anomalous: 1 N Shift Results: #Consistent: 93 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I7 HD11 = -0.530(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0139e-05 1.I7 HD12 = -0.530(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0139e-05 1.I7 HD13 = -0.530(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0139e-05 1.F11 HE1 = 6.006(S), Expected = 7.08, Std = 0.3100, ChiSquare = 5.3119e-04 1.F11 HE2 = 6.006(S), Expected = 7.08, Std = 0.3200, ChiSquare = 7.9007e-04 1.D14 HA = 5.663(S), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9905e-04 1.Y19 HB2 = 1.644(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.2249e-04 1.Y19 HB3 = 0.651(S), Expected = 2.84, Std = 0.3900, ChiSquare = 1.9906e-08 1.Y20 HB3 = 1.505(S), Expected = 2.84, Std = 0.3900, ChiSquare = 6.1917e-04 1.W21 HZ2 = 5.647(S), Expected = 7.28, Std = 0.3300, ChiSquare = 7.4793e-07 1.W21 HH2 = 5.481(S), Expected = 6.98, Std = 0.3900, ChiSquare = 1.2125e-04 1.W21 SRO Rule Break>> HZ2 > HA : 0.998550724637681 1.K22 HA = 5.924(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.7053e-04 1.K22 HD3 = 0.816(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.6575e-04 1.D24 HB3 = 0.942(S), Expected = 2.66, Std = 0.2800, ChiSquare = 8.4777e-10 1.F26 H = 5.917(S), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9118e-04 1.F26 HB2 = -0.463(A), Expected = 3.00, Std = 0.3700, ChiSquare = 8.0146e-21 1.F26 HB3 = 1.501(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.5359e-04 1.Y36 HB2 = 1.661(S), Expected = 2.91, Std = 0.3700, ChiSquare = 7.3635e-04 1.Q59 HG2 = 1.007(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.1564e-06 1.Q59 HG3 = 0.588(S), Expected = 2.29, Std = 0.2900, ChiSquare = 4.3852e-09 1.Q59 HE22 = 5.022(S), Expected = 7.02, Std = 0.4400, ChiSquare = 5.6012e-06 1.P63 HA = 2.915(S), Expected = 4.40, Std = 0.3300, ChiSquare = 6.7953e-06 1.A64 HA = 1.903(S), Expected = 4.26, Std = 0.4400, ChiSquare = 8.4700e-08 1.A64 HB1 = 0.209(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1416e-05 1.A64 HB2 = 0.209(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1416e-05 1.A64 HB3 = 0.209(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1416e-05 1.Y69 CE2 = 129.127(S), Expected = 117.90, Std = 1.1800, ChiSquare = 1.8275e-21 1.Y69 HE1 = 5.583(S), Expected = 6.70, Std = 0.2300, ChiSquare = 1.1947e-06 1.Y69 HE2 = 5.583(S), Expected = 6.71, Std = 0.2300, ChiSquare = 9.5837e-07 1.W70 HB2 = 1.811(S), Expected = 3.19, Std = 0.3500, ChiSquare = 8.1482e-05 1.V78 HB = 0.430(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.2741e-06 1.H82 HB3 = 1.119(S), Expected = 3.04, Std = 0.3800, ChiSquare = 4.2980e-07