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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.045 CA :: 58.653 CB :: 63.677 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.488 HB2 :: 3.895 HB3 :: 3.895 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 173.907 CA :: 45.418 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.440 HA2 :: 3.965 HA3 :: 3.965 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.880 Ave N Shift Values>> N :: 109.91(4.29) 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.14 C Shift Assignments>> C :: 176.234 CA :: 55.688 CB :: 32.275 CG :: 32.116 CE :: 17.215 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 :: 8.136 HA :: 4.458 HB2 :: 2.014 HB3 :: 1.952 HG2 :: 2.474 HG3 :: 2.590 HE1 :: 2.022 HE2 :: 2.022 HE3 :: 2.022 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 :: 120.361 Ave N Shift Values>> N :: 120.1(3.88) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.878 CA :: 63.100 CB :: 33.493 CG1 :: 21.155 CG2 :: 20.773 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 :: 8.847 HA :: 4.162 HB :: 1.775 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 123.850 Ave N Shift Values>> N :: 121.02(4.96) 1.K10 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.63 K 0.29 R 0.05 M 0.01 HN Overlap>> 1.L23 1.L23 C Shift Assignments>> C :: 172.850 CA :: 56.235 CB :: 36.015 CG :: 25.275 CD :: 28.965 CE :: 40.420 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 :: 7.842 HA :: 4.295 HB2 :: 1.242 HB3 :: 0.921(S) HG2 :: 0.054(S) HG3 :: 0.862 HD2 :: 0.773(S) HD3 :: -0.415(A) HE2 :: 0.965(A) HE3 :: 1.772(S) 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 :: 121.823 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) 1.E11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 M 0.2 E 0.07 HN Overlap>> 1.R26 1.R26 C Shift Assignments>> C :: 175.686 CA :: 54.266 CB :: 34.241 CG :: 35.923 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 :: 8.386 HA :: 6.012(S) HB2 :: 2.077 HB3 :: 2.249 HG2 :: 2.265 HG3 :: 2.265 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 :: 121.816 Ave N Shift Values>> N :: 120.68(3.68) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 171.375 CA :: 45.489 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.441 HA2 :: 3.722 HA3 :: 3.722 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.257 Ave N Shift Values>> N :: 109.91(4.29) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.47 C 0.46 H 0.06 HN Overlap>> 1.H97 1.H97 C Shift Assignments>> C :: 176.240 CA :: 58.026 CB :: 30.748 CD1 :: 128.214 CE3 :: 120.491 CZ2 :: 114.906 CZ3 :: 121.435 CH2 :: 124.456 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 :: 8.504 HA :: 5.013 HB2 :: 3.105 HB3 :: 2.899 HD1 :: 7.727 HE1 :: 10.642 HE3 :: 7.469 HZ2 :: 7.699 HZ3 :: 6.909 HH2 :: 7.418 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 :: 120.674 NE1 :: 130.638 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.79 M 0.1 A 0.1 C Shift Assignments>> C :: 173.538 CA :: 53.588 CB :: 28.992 CG :: 29.022 CE :: 14.399 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 :: 8.874 HA :: 4.725 HB2 :: -0.918(S) HB3 :: 0.659(S) HG2 :: 0.375(S) HG3 :: 0.971(S) HE1 :: 1.892 HE2 :: 1.892 HE3 :: 1.892 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 :: 116.448 Ave N Shift Values>> N :: 120.1(3.88) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.17 A 0.04 HN Overlap>> 1.Q120 1.Q120 C Shift Assignments>> C :: 175.739 CA :: 58.212 CB :: 35.270 CG1 :: 21.012 CG2 :: 18.846 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 :: 8.115 HA :: 5.962 HB :: 1.895 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 117.189 Ave N Shift Values>> N :: 121.02(4.96) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.32 H 0.03 Y 0.01 C Shift Assignments>> C :: 172.362 CA :: 56.835 CB :: 33.082 CD2 :: 128.826 CE1 :: 135.950 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 :: 8.974 HA :: 5.750 HB2 :: 3.354 HB3 :: 3.299 HD2 :: 6.829 HE1 :: 6.824 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 :: 117.416 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 174.477 CA :: 57.118 CB :: 39.291 CD1 :: 133.736 CD2 :: 133.736 CE1 :: 119.012 CE2 :: 119.012 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 :: 8.554 HA :: 5.249 HB2 :: 3.571 HB3 :: 2.484 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.174 HE2 :: 6.174 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 :: 116.001 Ave N Shift Values>> N :: 120.79(4.69) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 T 0.11 C Shift Assignments>> C :: 175.052 CA :: 60.136 CB :: 74.426 CG2 :: 22.787 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 :: 8.806 HA :: 5.880 HB :: 4.488 HG21 :: 1.320 HG22 :: 1.320 HG23 :: 1.320 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 :: 110.997 Ave N Shift Values>> N :: 115.7(5.05) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.645 CA :: 60.100 CB :: 62.485 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.722 HA :: 4.302 HB2 :: 3.983 HB3 :: 4.232 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 :: 111.146 Ave N Shift Values>> N :: 116.3(3.95) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.35 K 0.2 G 0.05 C Shift Assignments>> C :: 175.386 CA :: 55.953 CB :: 31.847 CG :: 27.324 CD :: 43.134 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 :: 7.720 HA :: 4.541 HB2 :: 1.933 HB3 :: 1.592 HG2 :: 1.662 HG3 :: 1.629 HD2 :: 3.202 HD3 :: 3.202 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 :: 118.215 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.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.13 C 0.1 R 0.09 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.535 CA :: 53.695 CB :: 42.005 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 :: 7.517 HA :: 4.699 HB2 :: 2.842 HB3 :: 2.546 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 :: 120.452 Ave N Shift Values>> N :: 120.73(4.2) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.23 Y 0.09 D 0.08 E 0.06 F 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 173.944 CA :: 53.579 CB :: 37.608 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 :: 8.709 HA :: 4.541 HB2 :: 2.746 HB3 :: 2.746 HD21 :: 7.318 HD22 :: 6.678 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 :: 125.309 ND2 :: 109.920 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.26 R 0.03 G 0.01 A 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 176.191 CA :: 54.594 CB :: 41.951 CG :: 26.642 CD1 :: 24.982 CD2 :: 24.100 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 :: 7.923 HA :: 4.237 HB2 :: 1.551 HB3 :: 1.642 HG :: 1.476 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 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 :: 121.760 Ave N Shift Values>> N :: 121.98(4.07) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.28 R 0.13 K 0.02 C Shift Assignments>> C :: 176.372 CA :: 57.524 CB :: 30.920 CG :: 30.805 CD :: 44.267 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 :: 8.562 HA :: 4.383 HB2 :: 1.585 HB3 :: 1.752 HG2 :: 1.583 HG3 :: 1.532 HD2 :: 3.066 HD3 :: 3.329 HE :: 7.427 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 :: 127.409 NE :: 85.944 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.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.37 K 0.07 G 0.03 HN Overlap>> 1.Q70 1.Q70 C Shift Assignments>> C :: 174.182 CA :: 54.806 CB :: 38.097 CG :: 24.857 CD :: 29.670 CE :: 42.456 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 :: 8.715 HA :: 4.531 HB2 :: 1.312 HB3 :: 1.733 HG2 :: 1.302 HG3 :: 1.462 HD2 :: 1.522 HD3 :: 1.671 HE2 :: 3.011 HE3 :: 3.011 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 :: 123.811 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.28 R 0.28 G 0.06 HN Overlap>> 1.E11 1.E11 C Shift Assignments>> C :: 174.289 CA :: 54.911 CB :: 32.880 CG :: 28.558 CD :: 43.198 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 :: 8.373 HA :: 5.161 HB2 :: 1.792 HB3 :: 1.663 HG2 :: 1.673 HG3 :: 1.576 HD2 :: 2.941 HD3 :: 2.941 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 :: 121.842 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.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 H 0.1 W 0.03 C Shift Assignments>> C :: 171.853 CA :: 57.704 CB :: 34.982 CD2 :: 117.182 CE1 :: 139.080 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 :: 8.911 HA :: 5.010 HB2 :: 3.636 HB3 :: 2.920 HD2 :: 6.621 HE1 :: 7.566 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 :: 121.454 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.630 CA :: 58.741 CB :: 37.912 CD1 :: 132.315 CD2 :: 132.315 CE1 :: 117.529 CE2 :: 117.529 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 :: 9.034 HA :: 3.999 HB2 :: 2.404 HB3 :: 0.812(S) HD1 :: 5.538 HD2 :: 5.538 HE1 :: 6.491 HE2 :: 6.491 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 :: 126.302 Ave N Shift Values>> N :: 120.79(4.69) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 W 0.04 C Shift Assignments>> C :: 175.562 CA :: 57.436 CB :: 31.147 CD1 :: 122.347 CE3 :: 121.355 CZ2 :: 111.560 CZ3 :: 119.019 CH2 :: 123.974 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 :: 9.137 HA :: 5.071 HB2 :: 2.778 HB3 :: 2.192 HD1 :: 6.970 HE1 :: 10.738 HE3 :: 6.171 HZ2 :: 6.653 HZ3 :: 6.403 HH2 :: 6.464 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 :: 132.259 NE1 :: 128.782 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.19 K 0.13 R 0.1 C Shift Assignments>> C :: 174.643 CA :: 56.217 CB :: 34.479 CG :: 29.051 CD :: 43.938 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 :: 9.182 HA :: 5.373 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 1.858 HG3 :: 1.662 HD2 :: 3.242 HD3 :: 3.167 HE :: 7.526 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 :: 117.380 NE :: 85.017 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.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.43 L 0.1 A 0.01 C Shift Assignments>> C :: 174.533 CA :: 53.721 CB :: 46.683 CG :: 27.528 CD1 :: 24.243 CD2 :: 27.324 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 :: 9.532 HA :: 5.314 HB2 :: 2.051 HB3 :: 1.735 HG :: 1.652 HD11 :: 1.043 HD12 :: 1.043 HD13 :: 1.043 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 129.001 Ave N Shift Values>> N :: 121.98(4.07) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.23 R 0.13 C 0.11 K 0.09 N 0.05 F 0.03 Y 0.02 G 0.02 C Shift Assignments>> C :: 174.010 CA :: 53.024 CB :: 42.540 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 :: 8.547 HA :: 5.015 HB2 :: 3.243 HB3 :: 2.723 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 :: 129.026 Ave N Shift Values>> N :: 120.73(4.2) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.567 CA :: 60.453 CB :: 63.653 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.840 HA :: 4.231 HB2 :: 4.002 HB3 :: 3.932 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 :: 107.919 Ave N Shift Values>> N :: 116.3(3.95) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.34 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 177.281 CA :: 57.100 CB :: 35.796 CG :: 24.728 CD :: 28.992 CE :: 42.129 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 :: 9.024 HA :: 4.594 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.442 HG3 :: 1.382 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.947 HE3 :: 2.947 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 :: 119.349 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 W 0.13 R 0.13 E 0.11 M 0.11 K 0.11 H 0.1 Q 0.06 V 0.04 I 0.01 C Shift Assignments>> C :: 171.415 CA :: 57.912 CB :: 31.478 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.186 HA :: 4.777 HB2 :: 2.812 HB3 :: 2.492 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.881 Ave N Shift Values>> N :: 119.95(4.79) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 G 0.26 C 0.18 R 0.03 A 0.01 C Shift Assignments>> C :: 174.455 CA :: 53.534 CB :: 44.151 CG :: 26.735 CD1 :: 23.802 CD2 :: 25.383 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 :: 8.221 HA :: 4.954 HB2 :: 1.363 HB3 :: 1.094 HG :: 0.876 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.409 HD22 :: 0.409 HD23 :: 0.409 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 :: 125.851 Ave N Shift Values>> N :: 121.98(4.07) 1.T37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.351 CA :: 62.112 CB :: 69.370 CG2 :: 22.807 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 :: 9.104 HA :: 4.349 HB :: 3.654 HG21 :: 0.158(S) HG22 :: 0.158(S) HG23 :: 0.158(S) 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 :: 121.626 Ave N Shift Values>> N :: 115.7(5.05) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.35 A 0.14 L 0.06 G 0.01 C Shift Assignments>> C :: 175.403 CA :: 54.841 CB :: 42.289 CG :: 29.410 CD1 :: 21.649 CD2 :: 26.090 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 :: 8.389 HA :: 4.321 HB2 :: 1.135 HB3 :: 1.056 HG :: 0.207(S) HD11 :: -0.645(S) HD12 :: -0.645(S) HD13 :: -0.645(S) HD21 :: -0.029 HD22 :: -0.029 HD23 :: -0.029 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 :: 128.080 Ave N Shift Values>> N :: 121.98(4.07) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.28 Y 0.25 C Shift Assignments>> C :: 176.521 CA :: 58.406 CB :: 41.451 CD1 :: 132.319 CD2 :: 132.319 CE1 :: 131.523 CE2 :: 131.523 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 :: 9.531 HA :: 4.870 HB2 :: 3.642 HB3 :: 3.629 HD1 :: 7.351 HD2 :: 7.351 HE1 :: 7.272 HE2 :: 7.272 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 :: 122.009 Ave N Shift Values>> N :: 120.69(4.18) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.23 E 0.13 R 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 175.730 CA :: 58.830 CB :: 29.127 CG :: 33.857 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 :: 9.080 HA :: 4.538 HB2 :: 2.345 HB3 :: 2.127 HG2 :: 2.489 HG3 :: 2.545 HE21 :: 6.962 HE22 :: 7.572 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 :: 119.753 NE2 :: 110.942 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.27 C 0.13 L 0.06 Y 0.04 F 0.04 C Shift Assignments>> C :: 173.408 CA :: 52.106 CB :: 39.702 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 :: 8.264 HA :: 4.896 HB2 :: 3.325 HB3 :: 3.241 HD21 :: 7.137 HD22 :: 7.862 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 :: 111.553 ND2 :: 114.916 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.28 K 0.16 Q 0.1 I 0.08 M 0.01 R 0.01 C Shift Assignments>> C :: 175.978 CA :: 57.700 CB :: 28.459 CG :: 35.691 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 :: 9.143 HA :: 2.758(S) HB2 :: 1.365 HB3 :: 1.399 HG2 :: 1.762 HG3 :: 1.843 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 :: 117.716 Ave N Shift Values>> N :: 120.68(3.68) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.429 CA :: 58.441 CB :: 64.335 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.900 HA :: 4.317 HB2 :: 3.802 HB3 :: 3.740 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 :: 113.914 Ave N Shift Values>> N :: 116.3(3.95) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.331 CA :: 45.259 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.969 HA2 :: 3.432 HA3 :: 3.772 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.647 Ave N Shift Values>> N :: 109.91(4.29) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.747 CA :: 58.743 CB :: 64.171 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.514 HB2 :: 4.014 HB3 :: 3.882 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.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 174.150 CA :: 56.193 CB :: 33.081 CG :: 24.939 CD :: 29.216 CE :: 42.293 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 :: 8.015 HA :: 4.517 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 1.362 HG3 :: 1.362 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 :: 122.183 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> CA :: 56.357 CB :: 39.743 CD1 :: 133.265 CD2 :: 133.265 CE1 :: 118.379 CE2 :: 118.379 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 :: 8.397 HA :: 4.646 HB2 :: 2.182 HB3 :: 2.571 HD1 :: 6.631 HD2 :: 6.631 HE1 :: 6.683 HE2 :: 6.683 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 :: 123.375 Ave N Shift Values>> N :: 120.79(4.69) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.784 CA :: 58.210 CB :: 39.826 CD1 :: 133.552 CD2 :: 133.552 CE1 :: 117.430 CE2 :: 117.430 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 :: 9.065 HA :: 4.659 HB2 :: 3.052 HB3 :: 2.203 HD1 :: 6.714 HD2 :: 6.714 HE1 :: 6.762 HE2 :: 6.762 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 :: 122.419 Ave N Shift Values>> N :: 120.79(4.69) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.26 R 0.11 C Shift Assignments>> C :: 172.529 CA :: 55.247 CB :: 37.029 CG :: 24.315 CD :: 28.558 CE :: 41.718 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 :: 7.179 HA :: 4.193 HB2 :: 1.123 HB3 :: 1.123 HG2 :: 0.937 HG3 :: 0.832 HD2 :: 1.364 HD3 :: 1.495 HE2 :: 2.719 HE3 :: 2.799 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 :: 116.078 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 M 0.21 E 0.21 HN Overlap>> 1.A102 1.A102 C Shift Assignments>> C :: 174.485 CA :: 55.009 CB :: 32.800 CG :: 36.876 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 :: 8.408 HA :: 4.424 HB2 :: 1.558 HB3 :: 1.345 HG2 :: 1.624 HG3 :: 1.568(S) 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 :: 124.035 Ave N Shift Values>> N :: 120.68(3.68) 1.I51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 C 0.46 A 0.01 C Shift Assignments>> C :: 172.672 CA :: 58.304 CB :: 39.705 CG1 :: 26.493 CG2 :: 16.340 CD1 :: 12.797 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 :: 9.151 HA :: 4.219 HB :: 1.529 HG12 :: 0.803 HG13 :: 0.429 HG21 :: 0.441 HG22 :: 0.441 HG23 :: 0.441 HD11 :: -0.364(S) HD12 :: -0.364(S) HD13 :: -0.364(S) 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 :: 126.557 Ave N Shift Values>> N :: 121.6(4.72) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 178.317 CA :: 62.818 CB :: 31.873 CG :: 28.102 CD :: 51.094 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 :: 4.497 HB2 :: 2.372 HB3 :: 1.820 HG2 :: 2.032 HG3 :: 1.834 HD2 :: 3.590 HD3 :: 3.540 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.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.36 R 0.01 A 0.01 C Shift Assignments>> C :: 179.381 CA :: 58.141 CB :: 40.151 CG :: 27.571 CD1 :: 25.691 CD2 :: 21.814 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 :: 8.519 HA :: 3.817 HB2 :: 1.614 HB3 :: 1.422 HG :: 1.289 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 124.542 Ave N Shift Values>> N :: 121.98(4.07) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.480 CA :: 60.012 CB :: 62.533 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.189 HA :: 4.120 HB2 :: 3.805 HB3 :: 4.002 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 :: 111.051 Ave N Shift Values>> N :: 116.3(3.95) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.39 M 0.07 I 0.07 K 0.03 C Shift Assignments>> C :: 176.530 CA :: 56.359 CB :: 30.310 CG :: 37.194 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 :: 7.790 HA :: 4.271 HB2 :: 2.253 HB3 :: 1.983 HG2 :: 2.279 HG3 :: 2.279 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 :: 120.174 Ave N Shift Values>> N :: 120.68(3.68) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 175.045 CA :: 63.175 CB :: 37.140 CG1 :: 27.222 CG2 :: 17.618 CD1 :: 13.574 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 :: 7.484 HA :: 3.690 HB :: 2.065 HG12 :: 1.752 HG13 :: 0.396 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 119.465 Ave N Shift Values>> N :: 121.6(4.72) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.31 R 0.15 G 0.02 A 0.02 C Shift Assignments>> C :: 178.098 CA :: 56.482 CB :: 42.540 CG :: 27.489 CD1 :: 25.350 CD2 :: 22.414 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 :: 8.985 HA :: 4.251 HB2 :: 1.472 HB3 :: 1.502 HG :: 1.643 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 128.672 Ave N Shift Values>> N :: 121.98(4.07) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.35 K 0.19 G 0.06 C Shift Assignments>> C :: 172.706 CA :: 55.247 CB :: 32.718 CG :: 26.502 CD :: 43.198 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 :: 7.503 HA :: 4.482 HB2 :: 1.974 HB3 :: 1.767 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 3.134 HD3 :: 3.198 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 :: 112.523 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.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.47 A 0.03 C Shift Assignments>> C :: 175.614 CA :: 57.934 CB :: 37.991 CG1 :: 27.358 CG2 :: 17.718 CD1 :: 13.095 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 :: 8.496 HA :: 5.176 HB :: 1.834 HG12 :: 1.461 HG13 :: 1.291 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 121.392 Ave N Shift Values>> N :: 121.6(4.72) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 174.121 CA :: 56.165 CB :: 66.396 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.015 HA :: 5.100 HB2 :: 3.722 HB3 :: 3.542 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 :: 119.465 Ave N Shift Values>> N :: 116.3(3.95) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.824 CA :: 58.123 CB :: 61.848 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.413 HA :: 4.947 HB2 :: 4.047 HB3 :: 3.928 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 :: 121.171 Ave N Shift Values>> N :: 116.3(3.95) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.459 CA :: 64.104 CB :: 31.726 CG :: 28.998 CD :: 50.312 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 :: 4.241 HB2 :: 1.602 HB3 :: 1.313 HG2 :: 1.252 HG3 :: 2.023 HD2 :: 3.635 HD3 :: 3.946 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.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.35 K 0.18 G 0.06 HN Overlap>> 1.F87 1.F87 C Shift Assignments>> C :: 175.092 CA :: 56.359 CB :: 32.440 CG :: 26.419 CD :: 43.260 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 :: 9.162 HA :: 4.383 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 1.632 HG3 :: 1.632 HD2 :: 3.208 HD3 :: 3.208 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 :: 125.059 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.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.12 C 0.1 N 0.08 R 0.06 F 0.06 Y 0.04 C Shift Assignments>> C :: 175.641 CA :: 53.606 CB :: 41.676 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 :: 8.386 HA :: 4.686 HB2 :: 2.882 HB3 :: 2.563 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 :: 120.339 Ave N Shift Values>> N :: 120.73(4.2) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 176.975 CA :: 57.418 CB :: 39.003 CD1 :: 131.951 CD2 :: 131.951 CE1 :: 131.085 CE2 :: 131.085 CZ :: 129.493 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 :: 8.723 HA :: 4.831 HB2 :: 3.414 HB3 :: 2.815 HD1 :: 7.272 HD2 :: 7.272 HE1 :: 7.130 HE2 :: 7.130 HZ :: 7.072 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 :: 122.403 Ave N Shift Values>> N :: 120.69(4.18) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.192 CA :: 63.808 CB :: 69.948 CG2 :: 21.814 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 :: 8.495 HA :: 4.169 HB :: 4.175 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 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 :: 113.660 Ave N Shift Values>> N :: 115.7(5.05) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.21 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.226 CA :: 53.448 CB :: 39.044 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 :: 8.334 HA :: 4.699 HB2 :: 2.713 HB3 :: 2.526 HD21 :: 7.176 HD22 :: 6.911 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 :: 118.012 ND2 :: 113.953 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.551 CA :: 60.766 CB :: 39.250 CG1 :: 27.653 CG2 :: 17.044 CD1 :: 13.665 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 :: 7.298 HA :: 4.034 HB :: 1.742 HG12 :: 1.341 HG13 :: 1.178 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 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 :: 118.112 Ave N Shift Values>> N :: 121.6(4.72) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.146 CA :: 58.494 CB :: 63.587 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.138 HA :: 4.249 HB2 :: 3.758 HB3 :: 3.758 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 :: 119.974 Ave N Shift Values>> N :: 116.3(3.95) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.25 K 0.25 R 0.09 E 0.08 M 0.03 I 0.01 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 176.975 CA :: 57.418 CB :: 28.434 CG :: 33.563 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 :: 8.609 HA :: 4.102 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 2.364 HG3 :: 2.364 HE21 :: 6.827 HE22 :: 7.505 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 :: 123.824 NE2 :: 112.419 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 174.368 CA :: 45.241 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.744 HA2 :: 4.093 HA3 :: 3.748 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.246 Ave N Shift Values>> N :: 109.91(4.29) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.167 CB :: 64.335 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.713 HA :: 4.411 HB2 :: 3.676 HB3 :: 3.739 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 :: 115.662 Ave N Shift Values>> N :: 116.3(3.95) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.2 D 0.08 Y 0.04 F 0.02 M 0.01 E 0.01 C Shift Assignments>> CA :: 51.340 CB :: 37.820 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 :: 8.978 HA :: 4.978 HB2 :: 2.782 HB3 :: 2.628 HD21 :: 8.893 HD22 :: 7.162 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 :: 122.221 ND2 :: 114.693 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.557 CA :: 62.994 CB :: 33.035 CG :: 27.324 CD :: 50.682 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 :: 4.712 HB2 :: 2.169 HB3 :: 2.322 HG2 :: 2.103 HG3 :: 2.045 HD2 :: 3.898 HD3 :: 4.019 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.H75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.34 W 0.06 C Shift Assignments>> C :: 173.107 CA :: 55.000 CB :: 30.861 CD2 :: 116.624 CE1 :: 141.858(A) 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 :: 8.045 HA :: 5.043 HB2 :: 2.963 HB3 :: 3.123 HD2 :: 6.862 HE1 :: 7.596 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 :: 116.010 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.2 C 0.17 W 0.13 P 0.09 I 0.08 R 0.07 E 0.07 K 0.04 H 0.04 M 0.03 Q 0.02 C Shift Assignments>> C :: 174.329 CA :: 60.788 CB :: 31.371 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.317 HA :: 4.567 HB2 :: 3.329 HB3 :: 2.881 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 112.891 Ave N Shift Values>> N :: 119.95(4.79) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 F 0.34 C Shift Assignments>> C :: 171.862 CA :: 57.383 CB :: 38.928 CD1 :: 133.206 CD2 :: 133.206 CE1 :: 128.936 CE2 :: 128.936 CZ :: 130.804 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 :: 8.423 HA :: 4.831 HB2 :: 3.540 HB3 :: 3.067 HD1 :: 7.070 HD2 :: 7.070 HE1 :: 7.032 HE2 :: 7.032 HZ :: 7.246 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 :: 112.811 Ave N Shift Values>> N :: 120.69(4.18) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.24 M 0.19 I 0.01 C Shift Assignments>> C :: 175.781 CA :: 54.196 CB :: 31.949 CG :: 37.184 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 :: 9.606 HA :: 5.433 HB2 :: 1.726 HB3 :: 1.560 HG2 :: 2.118 HG3 :: 2.044 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 :: 120.332 Ave N Shift Values>> N :: 120.68(3.68) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 174.283 CA :: 61.177 CB :: 39.990 CG1 :: 26.953 CG2 :: 18.234 CD1 :: 13.671 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 :: 9.003 HA :: 4.475 HB :: 1.892 HG12 :: 1.050 HG13 :: 1.842 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 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 :: 121.057 Ave N Shift Values>> N :: 121.6(4.72) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.535 CA :: 62.112 CB :: 38.186 CG1 :: 29.351 CG2 :: 18.546 CD1 :: 13.901 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 :: 8.702 HA :: 4.445 HB :: 1.978 HG12 :: 1.390 HG13 :: 1.283 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 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 :: 128.523 Ave N Shift Values>> N :: 121.6(4.72) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 173.423 CA :: 59.747 CB :: 71.835 CG2 :: 21.445 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 :: 8.128 HA :: 5.184 HB :: 4.710 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 117.982 Ave N Shift Values>> N :: 115.7(5.05) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.17 L 0.14 Y 0.14 C 0.13 D 0.08 R 0.06 I 0.03 C Shift Assignments>> C :: 177.347 CA :: 57.470 CB :: 41.395 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 :: 9.548 HA :: 4.370 HB2 :: 2.765 HB3 :: 2.659 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 :: 118.892 Ave N Shift Values>> N :: 120.73(4.2) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.457 CA :: 61.600 CB :: 70.746 CG2 :: 21.907 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 :: 7.721 HA :: 4.419 HB :: 4.241 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 104.408 Ave N Shift Values>> N :: 115.7(5.05) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.36 A 0.13 I 0.03 C Shift Assignments>> C :: 173.515 CA :: 55.477 CB :: 35.426 CG :: 30.545 CE :: 16.576 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 :: 7.367 HA :: 4.488 HB2 :: 1.841 HB3 :: 1.770 HG2 :: 1.985 HG3 :: 1.751 HE1 :: 1.843 HE2 :: 1.843 HE3 :: 1.843 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 :: 119.028 Ave N Shift Values>> N :: 120.1(3.88) 1.V85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.458 CA :: 61.441 CB :: 34.242 CG1 :: 21.330 CG2 :: 21.953 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 :: 7.831 HA :: 4.584 HB :: 1.438 HG11 :: -0.056(S) HG12 :: -0.056(S) HG13 :: -0.056(S) HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 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 :: 123.433 Ave N Shift Values>> N :: 121.02(4.96) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.010 CA :: 56.606 CB :: 39.414 CD1 :: 132.773 CD2 :: 132.773 CE1 :: 117.159 CE2 :: 117.159 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 :: 8.860 HA :: 4.514 HB2 :: 2.868 HB3 :: 2.308 HD1 :: 6.757 HD2 :: 6.757 HE1 :: 6.353 HE2 :: 6.353 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 :: 123.323 Ave N Shift Values>> N :: 120.79(4.69) 1.F87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 F 0.48 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> C :: 176.212 CA :: 57.223 CB :: 36.867 CD1 :: 131.772 CD2 :: 131.772 CE1 :: 130.250 CE2 :: 130.250 CZ :: 129.186 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 :: 9.074 HA :: 4.159 HB2 :: 1.343(S) HB3 :: 0.898(S) HD1 :: 5.853 HD2 :: 5.853 HE1 :: 6.922 HE2 :: 6.922 HZ :: 7.051 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 :: 124.993 Ave N Shift Values>> N :: 120.69(4.18) 1.V88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 V 0.31 C Shift Assignments>> C :: 176.389 CA :: 64.371 CB :: 32.464 CG1 :: 25.848 CG2 :: 22.202 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 :: 9.037 HA :: 4.119 HB :: 0.213(S) HG11 :: 0.537 HG12 :: 0.537 HG13 :: 0.537 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 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 :: 127.609 Ave N Shift Values>> N :: 121.02(4.96) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 172.673 CA :: 45.047 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.774 HA2 :: 4.270 HA3 :: 4.101 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.856 Ave N Shift Values>> N :: 109.91(4.29) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.16 M 0.15 C Shift Assignments>> C :: 173.208 CA :: 56.455 CB :: 33.616 CG :: 36.971 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 :: 9.786 HA :: 4.503 HB2 :: 1.695 HB3 :: 1.695 HG2 :: 1.708 HG3 :: 1.886 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 :: 123.437 Ave N Shift Values>> N :: 120.68(3.68) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.21 D 0.07 Y 0.03 F 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.207 CA :: 51.259 CB :: 37.723 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 :: 8.663 HA :: 4.522 HB2 :: 2.927 HB3 :: 2.668 HD21 :: 7.112 HD22 :: 7.775 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 :: 124.837 ND2 :: 110.614 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.16 D 0.14 Y 0.05 F 0.04 L 0.02 C Shift Assignments>> C :: 176.001 CA :: 51.947 CB :: 38.469 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 :: 8.059 HA :: 4.613 HB2 :: 3.167 HB3 :: 2.315 HD21 :: 7.779 HD22 :: 6.771 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 :: 122.848 ND2 :: 111.660 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 173.618 CA :: 45.895 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.232 HA2 :: 4.160 HA3 :: 3.731 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.484 Ave N Shift Values>> N :: 109.91(4.29) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.2 K 0.12 C 0.1 N 0.1 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 176.956 CA :: 53.729 CB :: 41.417 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 :: 7.813 HA :: 4.778 HB2 :: 2.950 HB3 :: 2.536 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 :: 119.983 Ave N Shift Values>> N :: 120.73(4.2) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.603 CA :: 58.512 CB :: 63.554 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.790 HA :: 4.514 HB2 :: 3.935 HB3 :: 3.935 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 :: 120.275 Ave N Shift Values>> N :: 116.3(3.95) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.071 CA :: 59.059 CB :: 64.089 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.449 HA :: 4.341 HB2 :: 3.904 HB3 :: 3.904 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 :: 118.485 Ave N Shift Values>> N :: 116.3(3.95) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.36 C 0.27 HN Overlap>> 1.W13 1.W13 C Shift Assignments>> C :: 174.597 CA :: 56.306 CB :: 29.172 CD2 :: 121.212 CE1 :: 137.954 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 :: 8.524 HA :: 4.603 HB2 :: 3.163 HB3 :: 3.109 HD2 :: 7.052 HE1 :: 7.983 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 :: 120.624 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.19 C 0.16 Y 0.03 F 0.03 L 0.02 C Shift Assignments>> C :: 173.472 CA :: 50.584 CB :: 39.240 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 :: 8.361 HA :: 4.972 HB2 :: 2.950 HB3 :: 2.749 HD21 :: 7.059 HD22 :: 7.885 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 :: 123.141 ND2 :: 113.670 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.727 CA :: 64.783 CB :: 32.359 CG :: 27.242 CD :: 50.847 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 :: 4.312 HB2 :: 2.422 HB3 :: 2.031 HG2 :: 2.111 HG3 :: 2.043 HD2 :: 3.573 HD3 :: 3.882 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.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.147 CA :: 65.112 CB :: 31.818 CG1 :: 21.996 CG2 :: 20.889 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 :: 7.733 HA :: 3.830 HB :: 2.089 HG11 :: 1.006 HG12 :: 1.006 HG13 :: 1.006 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 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 :: 118.747 Ave N Shift Values>> N :: 121.02(4.96) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.33 R 0.03 C Shift Assignments>> C :: 180.295 CA :: 56.500 CB :: 41.594 CG :: 26.661 CD1 :: 24.708 CD2 :: 23.505 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 :: 7.302 HA :: 4.172 HB2 :: 1.644 HB3 :: 1.644 HG :: 1.579 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 120.711 Ave N Shift Values>> N :: 121.98(4.07) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.39 C 0.03 I 0.03 V 0.01 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 180.547 CA :: 55.124 CB :: 18.642 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.470 HA :: 4.340 HB1 :: 1.552 HB2 :: 1.552 HB3 :: 1.552 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.047 Ave N Shift Values>> N :: 123.23(3.7) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 177.948 CA :: 54.082 CB :: 18.195 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.792 HA :: 4.392 HB1 :: 1.524 HB2 :: 1.524 HB3 :: 1.524 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.684 Ave N Shift Values>> N :: 123.23(3.7) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 175.249 CA :: 61.936 CB :: 70.257 CG2 :: 21.560 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 :: 7.722 HA :: 4.170 HB :: 4.198 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 106.061 Ave N Shift Values>> N :: 115.7(5.05) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 172.412 CA :: 45.506 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.126 HA2 :: 4.159 HA3 :: 3.761 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.679 Ave N Shift Values>> N :: 109.91(4.29) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 174.187 CA :: 63.241 CB :: 33.616 CG1 :: 21.558 CG2 :: 21.035 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 :: 7.326 HA :: 3.905 HB :: 1.731 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 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 :: 119.742 Ave N Shift Values>> N :: 121.02(4.96) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.23 R 0.21 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.309 CA :: 44.289 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.035 HA2 :: 4.725 HA3 :: 4.007 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.488 Ave N Shift Values>> N :: 109.91(4.29) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 R 0.14 G 0.05 C Shift Assignments>> C :: 177.935 CA :: 58.079 CB :: 42.965 CG :: 27.226 CD1 :: 24.169 CD2 :: 25.475 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 :: 9.170 HA :: 4.421 HB2 :: 1.803 HB3 :: 1.445 HG :: 1.522 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 0.939 HD22 :: 0.939 HD23 :: 0.939 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 :: 125.513 Ave N Shift Values>> N :: 121.98(4.07) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.14 L 0.14 C 0.13 F 0.11 Y 0.1 K 0.06 C Shift Assignments>> C :: 179.573 CA :: 54.634 CB :: 40.386 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 :: 8.670 HA :: 4.343 HB2 :: 2.691 HB3 :: 2.662 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 :: 118.295 Ave N Shift Values>> N :: 120.73(4.2) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.497 CA :: 64.637 CB :: 31.683 CG1 :: 21.179 CG2 :: 22.236 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 :: 8.243 HA :: 4.172 HB :: 2.160 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 119.150 Ave N Shift Values>> N :: 121.02(4.96) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.2 I 0.06 C 0.05 V 0.04 T 0.01 L 0.01 C Shift Assignments>> C :: 179.622 CA :: 56.377 CB :: 19.182 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.530 HA :: 4.372 HB1 :: 1.920 HB2 :: 1.920 HB3 :: 1.920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.214 Ave N Shift Values>> N :: 123.23(3.7) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.19 K 0.17 Q 0.15 I 0.11 R 0.02 C Shift Assignments>> C :: 179.018 CA :: 59.359 CB :: 28.163 CG :: 34.924 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 :: 9.206 HA :: 4.151 HB2 :: 2.367 HB3 :: 1.991 HG2 :: 2.750 HG3 :: 2.482 HE21 :: 7.573 HE22 :: 6.833 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 :: 118.565 NE2 :: 111.418 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.661 CA :: 61.371 CB :: 62.567 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.753 HA :: 4.134 HB2 :: 3.962 HB3 :: 3.962 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 :: 114.604 Ave N Shift Values>> N :: 116.3(3.95) 1.W114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.65 C 0.33 H 0.01 C Shift Assignments>> C :: 177.045 CA :: 62.235 CB :: 29.052 CD1 :: 127.324 CE3 :: 118.408 CZ2 :: 115.162 CZ3 :: 121.325 CH2 :: 124.748 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 :: 7.722 HA :: 3.922 HB2 :: 3.548 HB3 :: 3.267 HD1 :: 7.358 HE1 :: 10.661 HE3 :: 7.552 HZ2 :: 7.048 HZ3 :: 7.031 HH2 :: 6.861 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 :: 123.099 NE1 :: 129.698 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.33 E 0.25 I 0.21 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 178.056 CA :: 60.259 CB :: 28.920 CG :: 35.525 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 :: 8.682 HA :: 2.693(S) HB2 :: 1.693 HB3 :: 0.981(S) HG2 :: 1.377(S) HG3 :: 1.642 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 :: 122.021 Ave N Shift Values>> N :: 120.68(3.68) 1.K116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.16 M 0.01 C Shift Assignments>> C :: 178.688 CA :: 59.553 CB :: 32.547 CG :: 25.124 CD :: 29.375 CE :: 42.029 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 :: 7.808 HA :: 3.764 HB2 :: 1.762 HB3 :: 1.762 HG2 :: 1.482 HG3 :: 1.307 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.872 HE3 :: 2.872 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 :: 116.275 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 180.268 CA :: 54.912 CB :: 18.589 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.458 HA :: 4.001 HB1 :: 1.167 HB2 :: 1.167 HB3 :: 1.167 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.717 Ave N Shift Values>> N :: 123.23(3.7) 1.I118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.08 C Shift Assignments>> C :: 177.263 CA :: 65.906 CB :: 38.463 CG1 :: 30.614 CG2 :: 18.068 CD1 :: 15.203 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 :: 8.690 HA :: 3.639 HB :: 1.757 HG12 :: 1.093 HG13 :: 2.422 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 1.321 HD12 :: 1.321 HD13 :: 1.321 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 :: 118.566 Ave N Shift Values>> N :: 121.6(4.72) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.3 G 0.14 K 0.07 C Shift Assignments>> C :: 179.728 CA :: 60.926 CB :: 29.874 CG :: 29.555 CD :: 43.280 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 :: 8.431 HA :: 3.812 HB2 :: 1.804 HB3 :: 1.710 HG2 :: 1.542 HG3 :: 1.542 HD2 :: 3.176 HD3 :: 3.010 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 :: 117.811 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.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.22 E 0.11 R 0.06 I 0.03 M 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> C :: 178.492 CA :: 58.777 CB :: 28.237 CG :: 34.030 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 :: 8.050 HA :: 4.002 HB2 :: 2.153 HB3 :: 2.070 HG2 :: 2.413 HG3 :: 2.325 HE21 :: 7.392 HE22 :: 6.802 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 :: 117.203 NE2 :: 111.922 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 C 0.03 I 0.01 C Shift Assignments>> C :: 179.730 CA :: 54.466 CB :: 18.686 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.946 HA :: 4.131 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.000 Ave N Shift Values>> N :: 123.23(3.7) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.31 R 0.09 G 0.01 C Shift Assignments>> C :: 178.322 CA :: 56.395 CB :: 42.213 CG :: 26.465 CD1 :: 24.186 CD2 :: 26.128 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 :: 7.876 HA :: 4.122 HB2 :: 1.821 HB3 :: 1.619 HG :: 1.911 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.834 HD22 :: 0.834 HD23 :: 0.834 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 :: 117.187 Ave N Shift Values>> N :: 121.98(4.07) 1.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.44 A 0.07 C Shift Assignments>> C :: 176.625 CA :: 56.377 CB :: 32.662 CG :: 31.970 CE :: 16.885 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 :: 7.622 HA :: 4.396 HB2 :: 2.174 HB3 :: 2.135 HG2 :: 2.730 HG3 :: 2.633 HE1 :: 2.082 HE2 :: 2.082 HE3 :: 2.082 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 :: 117.684 Ave N Shift Values>> N :: 120.1(3.88) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.643 CA :: 58.865 CB :: 63.842 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.907 HA :: 4.469 HB2 :: 3.924 HB3 :: 3.924 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 :: 115.125 Ave N Shift Values>> N :: 116.3(3.95) 1.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> C :: 171.969 CA :: 44.924 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.057 HA2 :: 4.193 HA3 :: 4.087 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.318 Ave N Shift Values>> N :: 109.91(4.29) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.433 CA :: 63.347 CB :: 32.177 CG :: 27.232 CD :: 49.914 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 :: 4.484 HB2 :: 2.285 HB3 :: 1.981 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.651 HD3 :: 3.651 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.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.732 CA :: 58.335 CB :: 63.924 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.480 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 :: 116.161 Ave N Shift Values>> N :: 116.3(3.95) 1.S128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 115 #Clerical: 0 #Suspicious: 12 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 122 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 1 C Shift Results: #Consistent: 544 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 811 #Duplicate: 0 #Unknown: 0 #Suspicious: 31 #Anomalous: 2 N Shift Results: #Consistent: 131 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K10 HB3 = 0.921(S), Expected = 1.78, Std = 0.2600, ChiSquare = 9.5368e-04 1.K10 HG2 = 0.054(S), Expected = 1.38, Std = 0.2700, ChiSquare = 9.0562e-07 1.K10 HD2 = 0.773(S), Expected = 1.61, Std = 0.2500, ChiSquare = 8.1397e-04 1.K10 HD3 = -0.415(A), Expected = 1.61, Std = 0.2500, ChiSquare = 5.4959e-16 1.K10 HE2 = 0.965(A), Expected = 2.93, Std = 0.2000, ChiSquare = 8.7874e-23 1.K10 HE3 = 1.772(S), Expected = 2.93, Std = 0.2000, ChiSquare = 7.0386e-09 1.K10 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.E11 HA = 6.012(S), Expected = 4.26, Std = 0.4300, ChiSquare = 4.6129e-05 1.M14 HB2 = -0.918(S), Expected = 2.03, Std = 0.3800, ChiSquare = 8.6351e-15 1.M14 HB3 = 0.659(S), Expected = 2.01, Std = 0.3600, ChiSquare = 1.7489e-04 1.M14 HG2 = 0.375(S), Expected = 2.44, Std = 0.3600, ChiSquare = 9.6875e-09 1.M14 HG3 = 0.971(S), Expected = 2.41, Std = 0.4000, ChiSquare = 3.2129e-04 1.Y28 HB3 = 0.812(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.4257e-08 1.T37 HG21 = 0.158(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4548e-04 1.T37 HG22 = 0.158(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4548e-04 1.T37 HG23 = 0.158(S), Expected = 1.16, Std = 0.2800, ChiSquare = 3.4548e-04 1.L38 HG = 0.207(S), Expected = 1.54, Std = 0.3300, ChiSquare = 5.3589e-05 1.L38 HD11 = -0.645(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5993e-07 1.L38 HD12 = -0.645(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5993e-07 1.L38 HD13 = -0.645(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5993e-07 1.E42 HA = 2.758(S), Expected = 4.26, Std = 0.4300, ChiSquare = 4.7758e-04 1.E50 HG3 = 1.568(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.1035e-04 1.I51 HD11 = -0.364(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.9014e-04 1.I51 HD12 = -0.364(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.9014e-04 1.I51 HD13 = -0.364(S), Expected = 0.70, Std = 0.3000, ChiSquare = 3.9014e-04 1.H75 CE1 = 141.858(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.0473e-01 1.V85 HG11 = -0.056(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.0496e-04 1.V85 HG12 = -0.056(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.0496e-04 1.V85 HG13 = -0.056(S), Expected = 0.84, Std = 0.2700, ChiSquare = 9.0496e-04 1.F87 HB2 = 1.343(S), Expected = 2.99, Std = 0.3700, ChiSquare = 8.5332e-06 1.F87 HB3 = 0.898(S), Expected = 2.97, Std = 0.3800, ChiSquare = 4.9630e-08 1.V88 HB = 0.213(S), Expected = 1.99, Std = 0.3300, ChiSquare = 7.2506e-08 1.E115 HA = 2.693(S), Expected = 4.26, Std = 0.4300, ChiSquare = 2.6824e-04 1.E115 HB3 = 0.981(S), Expected = 2.04, Std = 0.2300, ChiSquare = 4.1376e-06 1.E115 HG2 = 1.377(S), Expected = 2.31, Std = 0.2100, ChiSquare = 8.8772e-06