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 :: 174.241 CA :: 59.222 CB :: 63.452 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.242 HB2 :: 3.858 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 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.599 CA :: 45.122 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.123 HA2 :: 3.882 HA3 :: 3.757 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.979 Ave N Shift Values>> N :: 109.91(4.29) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.32 C 0.31 C Shift Assignments>> C :: 174.449 CA :: 56.370 CB :: 30.731 CD2 :: 121.561 CE1 :: 139.349 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 :: 7.675 HA :: 4.576 HB2 :: 2.343 HB3 :: 2.131 HD2 :: 7.365 HE1 :: 7.562 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 :: 118.327 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.32 R 0.16 G 0.01 C Shift Assignments>> C :: 175.923 CA :: 53.885 CB :: 32.830 CG :: 24.473 CD :: 29.152 CE :: 42.248 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 :: 8.755 HA :: 4.697 HB2 :: 1.867 HB3 :: 1.673 HG2 :: 1.352 HG3 :: 1.431 HD2 :: 1.598 HD3 :: 1.598 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 :: 126.307 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.782 CA :: 60.099 CB :: 40.518 CD1 :: 131.720 CD2 :: 131.720 CE1 :: 131.733 CE2 :: 131.733 CZ :: 128.867 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 :: 8.741 HA :: 4.734 HB2 :: 2.934 HB3 :: 2.746 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 7.320 HE2 :: 7.320 HZ :: 6.769 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 :: 121.888 Ave N Shift Values>> N :: 120.69(4.18) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.674 CA :: 60.491 CB :: 71.663 CG2 :: 20.985 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 :: 8.621 HA :: 4.666 HB :: 4.115 HG21 :: 1.262 HG22 :: 1.262 HG23 :: 1.262 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 :: 116.006 Ave N Shift Values>> N :: 115.7(5.05) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 C Shift Assignments>> C :: 177.074 CA :: 52.500 CB :: 19.171 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.589 HA :: 4.730 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.447 Ave N Shift Values>> N :: 123.23(3.7) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.3 R 0.2 G 0.06 HN Overlap>> 1.Q34 1.Q34 C Shift Assignments>> C :: 173.253 CA :: 54.381 CB :: 33.556 CG :: 25.796 CD :: 43.026 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 :: 8.234 HA :: 4.451 HB2 :: 1.363 HB3 :: 1.288 HG2 :: 1.216 HG3 :: 0.991 HD2 :: 2.963 HD3 :: 2.963 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 :: 119.998 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.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.58 C 0.41 C Shift Assignments>> C :: 175.318 CA :: 56.558 CB :: 40.080 CD1 :: 131.983 CD2 :: 131.983 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 :: 8.225 HA :: 4.743 HB2 :: 2.845 HB3 :: 2.989 HD1 :: 7.242 HD2 :: 7.242 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 :: 120.276 Ave N Shift Values>> N :: 120.69(4.18) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 175.296 CA :: 57.733 CB :: 40.452 CD1 :: 132.233 CD2 :: 132.233 CE1 :: 130.349 CE2 :: 130.349 CZ :: 128.730 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 :: 8.827 HA :: 4.665 HB2 :: 3.275 HB3 :: 2.804 HD1 :: 7.260 HD2 :: 7.260 HE1 :: 6.995 HE2 :: 6.995 HZ :: 6.865 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 :: 124.012 Ave N Shift Values>> N :: 120.69(4.18) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.38 C 0.38 R 0.22 G 0.01 C Shift Assignments>> C :: 176.179 CA :: 57.452 CB :: 33.257 CG :: 25.324 CD :: 29.133 CE :: 42.177 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>> HA :: 4.275 HB2 :: 1.977 HB3 :: 1.856 HG2 :: 1.500 HG3 :: 1.541 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.021 HE3 :: 3.021 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) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.28 Q 0.26 R 0.08 E 0.02 P 0.01 C Shift Assignments>> C :: 172.724 CA :: 52.837 CB :: 29.189 CG :: 33.020 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.821 HA :: 4.673 HB2 :: 1.846 HB3 :: 2.019 HG2 :: 2.265 HG3 :: 2.265 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 :: 116.628 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> C :: 176.417 CA :: 63.771 CB :: 31.225 CG :: 27.256 CD :: 50.241 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 :: 4.214 HB2 :: 1.521 HB3 :: 1.350 HG2 :: 1.643 HG3 :: 1.103 HD2 :: 3.169 HD3 :: 3.317 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.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 171.983 CA :: 61.735 CB :: 72.217 CG2 :: 19.741 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 :: 8.126 HA :: 4.381 HB :: 3.323 HG21 :: 0.601 HG22 :: 0.601 HG23 :: 0.601 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 :: 122.097 Ave N Shift Values>> N :: 115.7(5.05) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 173.946 CA :: 58.165 CB :: 39.975 CD1 :: 131.483 CD2 :: 131.483 CE1 :: 131.483 CE2 :: 131.483 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 :: 8.562 HA :: 4.022 HB2 :: 2.539 HB3 :: 2.539 HD1 :: 6.830 HD2 :: 6.830 HE1 :: 7.014 HE2 :: 7.014 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.331 Ave N Shift Values>> N :: 120.69(4.18) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 R 0.14 E 0.13 K 0.11 H 0.1 Q 0.06 V 0.06 I 0.02 C Shift Assignments>> C :: 176.940 CA :: 58.379 CB :: 31.464 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.175 HA :: 4.047 HB2 :: 2.015 HB3 :: 3.350 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 :: 123.578 Ave N Shift Values>> N :: 119.95(4.79) 1.S22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.605 CA :: 61.321 CB :: 63.102 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.195 HA :: 4.062 HB2 :: 3.468 HB3 :: 2.733(S) 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 :: 126.131 Ave N Shift Values>> N :: 116.3(3.95) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 H 0.14 W 0.05 C Shift Assignments>> C :: 175.635 CA :: 59.431 CB :: 33.587 CD2 :: 116.967 CE1 :: 140.233 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 :: 8.908 HA :: 4.816 HB2 :: 3.246 HB3 :: 3.048 HD2 :: 7.615 HE1 :: 7.782 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 :: 120.198 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 R 0.14 E 0.12 K 0.12 H 0.1 V 0.07 Q 0.06 I 0.02 C Shift Assignments>> C :: 177.589 CA :: 58.481 CB :: 31.620 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.599 HA :: 4.743 HB2 :: 3.353 HB3 :: 3.104 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 :: 117.676 Ave N Shift Values>> N :: 119.95(4.79) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 171.962 CA :: 64.922 CB :: 69.491 CG2 :: 21.852 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 :: 7.793 HA :: 3.970 HB :: 4.361 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 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 :: 116.117 Ave N Shift Values>> N :: 115.7(5.05) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.19 R 0.17 C 0.11 K 0.07 G 0.05 F 0.03 N 0.03 C Shift Assignments>> C :: 176.287 CA :: 53.201 CB :: 42.980 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 :: 8.475 HA :: 5.036 HB2 :: 2.942 HB3 :: 2.868 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 :: 122.541 Ave N Shift Values>> N :: 120.73(4.2) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 177.089 CA :: 58.991 CB :: 40.384 CD1 :: 131.000 CD2 :: 131.000 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 :: 8.790 HA :: 4.281 HB2 :: 2.463 HB3 :: 2.676 HD1 :: 6.791 HD2 :: 6.791 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.743 Ave N Shift Values>> N :: 120.69(4.18) 1.I28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 174.784 CA :: 61.257 CB :: 37.908 CG1 :: 26.336 CG2 :: 17.741 CD1 :: 14.065 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 :: 8.949 HA :: 4.099 HB :: 1.335 HG12 :: 0.943 HG13 :: -0.161(S) HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 HD11 :: 0.101 HD12 :: 0.101 HD13 :: 0.101 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 :: 124.653 Ave N Shift Values>> N :: 121.6(4.72) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.45 H 0.03 C Shift Assignments>> C :: 175.101 CA :: 56.854 CB :: 30.994 CD1 :: 126.983 CE3 :: 120.983 CZ2 :: 114.719 CZ3 :: 122.011 CH2 :: 124.641 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 :: 8.334 HA :: 4.883 HB2 :: 3.258 HB3 :: 3.214 HD1 :: 7.202 HE1 :: 10.133 HE3 :: 7.590 HZ2 :: 7.471 HZ3 :: 6.998 HH2 :: 7.147 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 :: 125.710 NE1 :: 129.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.748 CA :: 44.970 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.026 HA2 :: 4.102 HA3 :: 3.690 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.349 Ave N Shift Values>> N :: 109.91(4.29) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.301 CA :: 61.865 CB :: 38.408 CG1 :: 27.480 CG2 :: 17.491 CD1 :: 13.087 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 :: 8.129 HA :: 4.079 HB :: 1.815 HG12 :: 1.440 HG13 :: 1.175 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 119.342 Ave N Shift Values>> N :: 121.6(4.72) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 C Shift Assignments>> CA :: 44.226 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.538 HA2 :: 4.032 HA3 :: 3.737 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.183 Ave N Shift Values>> N :: 109.91(4.29) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.4 C 0.35 R 0.23 G 0.01 C Shift Assignments>> C :: 175.857 CA :: 55.817 CB :: 32.173 CG :: 24.952 CD :: 29.290 CE :: 42.298 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 :: 7.257 HA :: 4.386 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.303 HG3 :: 1.019 HD2 :: 1.535 HD3 :: 1.535 HE2 :: 2.818 HE3 :: 2.818 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) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.3 K 0.17 E 0.16 R 0.01 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 176.635 CA :: 56.215 CB :: 30.715 CG :: 33.852 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 :: 8.347 HA :: 4.472 HB2 :: 1.840 HB3 :: 2.109 HG2 :: 2.065 HG3 :: 1.962 HE21 :: 7.212 HE22 :: 6.870 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.003 NE2 :: 112.261 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.17 R 0.11 C 0.1 F 0.01 D 0.01 C Shift Assignments>> C :: 170.826 CA :: 44.741 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.612 HA2 :: 4.644 HA3 :: 3.667 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.607 Ave N Shift Values>> N :: 109.91(4.29) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 C 0.16 A 0.06 R 0.01 C Shift Assignments>> C :: 175.082 CA :: 53.287 CB :: 45.007 CG :: 27.044 CD1 :: 22.801 CD2 :: 25.454 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 :: 8.931 HA :: 5.137 HB2 :: 0.945 HB3 :: 1.326 HG :: 1.212 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 HD21 :: 0.268 HD22 :: 0.268 HD23 :: 0.268 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 :: 119.363 Ave N Shift Values>> N :: 121.98(4.07) 1.Q37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 Q 0.1 E 0.04 C Shift Assignments>> C :: 175.927 CA :: 53.658 CB :: 33.642 CG :: 33.715 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 :: 9.061 HA :: 5.735(S) HB2 :: 2.178 HB3 :: 2.009 HG2 :: 2.175 HE21 :: 7.498 HE22 :: 7.012 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 :: 119.221 NE2 :: 111.976 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 C 0.15 E 0.14 R 0.13 H 0.1 Q 0.08 I 0.07 K 0.05 V 0.05 C Shift Assignments>> C :: 177.200 CA :: 59.215 CB :: 30.422 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.782 HA :: 4.361 HB2 :: 3.373 HB3 :: 2.302 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 :: 131.611 Ave N Shift Values>> N :: 119.95(4.79) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 Q 0.18 K 0.12 I 0.03 C Shift Assignments>> C :: 175.237 CA :: 58.055 CB :: 30.523 CG :: 34.975 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 :: 9.113 HA :: 4.196 HB2 :: 2.320 HB3 :: 2.088 HG2 :: 2.610 HG3 :: 2.552 HE21 :: 7.250 HE22 :: 7.029 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 :: 130.545 NE2 :: 112.409 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V40 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 :: 176.627 CA :: 64.571 CB :: 33.429 CG1 :: 21.478 CG2 :: 21.496 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 :: 9.052 HA :: 4.045 HB :: 1.951 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.625 Ave N Shift Values>> N :: 121.02(4.96) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 K 0.17 Q 0.14 V 0.14 W 0.09 R 0.06 E 0.04 H 0.04 C Shift Assignments>> C :: 176.357 CA :: 59.017 CB :: 33.290 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.345 HA :: 5.088 HB2 :: 3.539 HB3 :: 2.670 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 :: 118.950 Ave N Shift Values>> N :: 119.95(4.79) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.756 CB :: 62.213 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.686 HA :: 4.312 HB2 :: 4.082 HB3 :: 4.082 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 :: 113.260 Ave N Shift Values>> N :: 116.3(3.95) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.31 C Shift Assignments>> CA :: 60.651 CB :: 41.402 CD1 :: 131.983 CD2 :: 131.983 CE1 :: 131.983 CE2 :: 131.983 CZ :: 129.983 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 :: 8.840 HA :: 4.432 HB2 :: 3.831 HB3 :: 2.590 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 7.218 HE2 :: 7.218 HZ :: 7.435 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.541 Ave N Shift Values>> N :: 120.69(4.18) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.455 CA :: 60.494 CB :: 34.489 CG1 :: 21.899 CG2 :: 22.374 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 :: 8.079 HA :: 5.311 HB :: 1.886 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 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 :: 126.760 Ave N Shift Values>> N :: 121.02(4.96) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 A 0.06 I 0.05 V 0.03 C Shift Assignments>> C :: 175.833 CA :: 57.733 CB :: 37.201 CG1 :: 23.380 CG2 :: 20.195 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 :: 8.733 HA :: 5.981 HB :: 2.118 HG11 :: 0.666 HG12 :: 0.666 HG13 :: 0.666 HG21 :: 0.549 HG22 :: 0.549 HG23 :: 0.549 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 :: 117.043 Ave N Shift Values>> N :: 121.02(4.96) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.36 H 0.24 C Shift Assignments>> C :: 178.308 CA :: 59.430 CB :: 31.977 CD2 :: 119.495 CE1 :: 138.983 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 :: 8.502 HA :: 4.602 HB2 :: 3.768 HB3 :: 3.716 HD2 :: 7.513 HE1 :: 7.202 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 :: 120.406 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.39 G 0.14 K 0.03 C Shift Assignments>> CA :: 61.134 CB :: 29.233 CG :: 28.106 CD :: 43.316 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 :: 9.236 HA :: 3.869 HB2 :: 1.992 HB3 :: 1.870 HG2 :: 1.643 HG3 :: 1.582 HD2 :: 3.216 HD3 :: 3.216 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.428 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.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 C 0.37 G 0.08 K 0.05 L 0.03 C Shift Assignments>> C :: 176.661 CA :: 58.265 CB :: 29.223 CG :: 27.619 CD :: 43.416 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>> HA :: 4.364 HB2 :: 2.001 HB3 :: 1.903 HG2 :: 1.856 HG3 :: 1.669 HD2 :: 3.136 HD3 :: 3.136 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) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 P 0.2 C 0.15 I 0.11 W 0.1 R 0.05 E 0.04 H 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.961 CA :: 61.691 CB :: 31.124 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.210 HA :: 4.468 HB2 :: 3.214 HB3 :: 3.042 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 :: 118.320 Ave N Shift Values>> N :: 119.95(4.79) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.44 C 0.32 H 0.23 C Shift Assignments>> C :: 176.184 CA :: 60.122 CB :: 30.844 CD2 :: 121.983 CE1 :: 138.787 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 :: 7.238 HA :: 3.771 HB2 :: 2.939 HB3 :: 2.800 HD2 :: 6.415 HE1 :: 7.674 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 :: 119.146 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.3 K 0.17 Q 0.13 I 0.06 R 0.01 C Shift Assignments>> C :: 175.899 CA :: 57.711 CB :: 29.046 CG :: 35.502 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 :: 8.195 HA :: 3.730 HB2 :: 1.508 HB3 :: 1.365 HG2 :: 1.160(S) HG3 :: 1.465(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 :: 115.566 Ave N Shift Values>> N :: 120.68(3.68) 1.F52 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 :: 174.929 CA :: 56.728 CB :: 39.552 CD1 :: 131.483 CD2 :: 131.483 CE1 :: 131.733 CE2 :: 131.733 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.314 HA :: 4.544 HB2 :: 3.404 HB3 :: 2.264 HD1 :: 7.190 HD2 :: 7.190 HE1 :: 7.387 HE2 :: 7.387 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 :: 116.422 Ave N Shift Values>> N :: 120.69(4.18) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.810 CA :: 63.738 CB :: 32.749 CG1 :: 23.983 CG2 :: 22.563 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 :: 6.863 HA :: 3.924 HB :: 2.168 HG11 :: 1.200 HG12 :: 1.200 HG13 :: 1.200 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 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 :: 118.466 Ave N Shift Values>> N :: 121.02(4.96) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.537 CA :: 61.430 CB :: 70.169 CG2 :: 21.647 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 :: 9.126 HA :: 4.518 HB :: 4.469 HG21 :: 1.341 HG22 :: 1.341 HG23 :: 1.341 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 :: 117.670 Ave N Shift Values>> N :: 115.7(5.05) 1.F55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 174.867 CA :: 57.345 CB :: 39.845 CD1 :: 132.233 CD2 :: 132.233 CE1 :: 131.483 CE2 :: 131.483 CZ :: 129.733 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.483 HA :: 4.620 HB2 :: 3.251 HB3 :: 2.737 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 7.376 HE2 :: 7.376 HZ :: 7.251 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 :: 124.858 Ave N Shift Values>> N :: 120.69(4.18) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.4 K 0.08 I 0.04 Q 0.03 C Shift Assignments>> C :: 174.565 CA :: 55.695 CB :: 30.125 CG :: 36.473 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 :: 8.471 HA :: 3.999 HB2 :: 1.657 HB3 :: 1.657 HG2 :: 2.021 HG3 :: 2.131 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 :: 129.717 Ave N Shift Values>> N :: 120.68(3.68) 1.C57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.14 W 0.13 Q 0.13 R 0.12 C 0.12 E 0.11 H 0.1 I 0.08 L 0.03 C Shift Assignments>> C :: 175.662 CA :: 58.249 CB :: 28.421 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.736 HA :: 3.655 HB2 :: 2.186 HB3 :: 1.031(S) 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 :: 125.067 Ave N Shift Values>> N :: 119.95(4.79) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 177.040 CA :: 63.695 CB :: 32.313 CG :: 26.916 CD :: 51.664 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 :: 4.408 HB2 :: 2.253 HB3 :: 2.064 HG2 :: 2.209 HG3 :: 2.131 HD2 :: 3.909 HD3 :: 4.434 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.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 C Shift Assignments>> C :: 172.756 CA :: 44.515 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.008 HA2 :: 3.960 HA3 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.409 Ave N Shift Values>> N :: 109.91(4.29) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 178.382 CA :: 52.538 CB :: 19.467 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.986 HA :: 4.252 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.894 Ave N Shift Values>> N :: 123.23(3.7) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.232 CA :: 45.531 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.404 HA2 :: 3.941 HA3 :: 3.941 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.177 Ave N Shift Values>> N :: 109.91(4.29) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 176.800 CA :: 55.923 CB :: 33.220 CG :: 24.700 CD :: 28.873 CE :: 42.181 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 :: 8.160 HA :: 4.421 HB2 :: 1.898 HB3 :: 1.719 HG2 :: 1.446 HG3 :: 1.377 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 C Shift Assignments>> C :: 171.797 CA :: 44.579 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.320 HA2 :: 4.085 HA3 :: 4.142 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.864 Ave N Shift Values>> N :: 109.91(4.29) 1.P64 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 :: 177.191 CA :: 63.278 CB :: 32.137 CG :: 27.241 CD :: 49.806 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 :: 4.442 HB2 :: 1.931 HB3 :: 2.270 HG2 :: 2.009 HG3 :: 2.009 HD2 :: 3.636 HD3 :: 3.636 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.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.25 E 0.12 R 0.04 C Shift Assignments>> C :: 176.301 CA :: 55.774 CB :: 29.370 CG :: 33.861 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 :: 8.624 HA :: 4.410 HB2 :: 2.165 HB3 :: 2.015 HG2 :: 2.403 HG3 :: 2.403 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.835 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.088 CA :: 62.050 CB :: 69.797 CG2 :: 21.547 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 :: 8.179 HA :: 4.300 HB :: 4.220 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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 :: 115.158 Ave N Shift Values>> N :: 115.7(5.05) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.13 C 0.11 N 0.1 F 0.08 R 0.03 C Shift Assignments>> C :: 175.286 CA :: 54.079 CB :: 41.238 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 :: 8.345 HA :: 4.611 HB2 :: 2.654 HB3 :: 2.588 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 :: 122.337 Ave N Shift Values>> N :: 120.73(4.2) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 C 0.12 N 0.12 K 0.08 R 0.06 F 0.03 G 0.01 C Shift Assignments>> C :: 175.382 CA :: 51.924 CB :: 41.967 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 :: 8.127 HA :: 4.828 HB2 :: 2.817 HB3 :: 2.584 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 :: 122.310 Ave N Shift Values>> N :: 120.73(4.2) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.808 CA :: 64.141 CB :: 32.171 CG :: 27.147 CD :: 51.073 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 :: 4.357 HB2 :: 2.326 HB3 :: 1.982 HG2 :: 2.039 HG3 :: 1.985 HD2 :: 3.871 HD3 :: 3.871 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.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.09 G 0.06 L 0.02 C Shift Assignments>> C :: 176.944 CA :: 57.241 CB :: 30.031 CG :: 27.166 CD :: 43.237 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 :: 8.458 HA :: 4.145 HB2 :: 1.851 HB3 :: 1.788 HG2 :: 1.650 HG3 :: 1.650 HD2 :: 3.210 HD3 :: 3.210 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 :: 118.290 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.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.18 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.407 CA :: 53.341 CB :: 38.734 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.975 HA :: 4.672 HB2 :: 2.742 HB3 :: 2.871 HD21 :: 7.728 HD22 :: 6.948 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 :: 117.253 ND2 :: 112.935 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.21 G 0.01 C Shift Assignments>> C :: 176.459 CA :: 56.980 CB :: 32.728 CG :: 24.652 CD :: 28.966 CE :: 42.177 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 :: 7.934 HA :: 4.177 HB2 :: 1.694 HB3 :: 1.739 HG2 :: 1.313 HG3 :: 1.313 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.929 HE3 :: 2.929 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.840 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.34 C 0.3 C Shift Assignments>> C :: 177.272 CA :: 56.354 CB :: 30.691 CD2 :: 119.840 CE1 :: 138.441 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 :: 8.135 HA :: 4.546 HB2 :: 3.045 HB3 :: 2.997 HD2 :: 6.930 HE1 :: 7.814 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 :: 119.668 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.41 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 175.983 CA :: 56.482 CB :: 32.939 CG :: 24.595 CD :: 29.136 CE :: 42.168 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>> HA :: 4.182 HB2 :: 1.616 HG2 :: 1.204 HD2 :: 1.628 HD3 :: 1.628 HE2 :: 2.935 HE3 :: 2.935 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) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 C 0.26 I 0.12 D 0.09 L 0.07 N 0.03 K 0.02 E 0.02 C Shift Assignments>> C :: 175.111 CA :: 57.626 CB :: 39.534 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>> HA :: 4.620 HB2 :: 2.994 HB3 :: 3.133 HD1 :: 7.245 HD2 :: 7.245 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 126.553 Ave N Shift Values>> N :: 120.69(4.18) 1.R76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.1 G 0.07 C Shift Assignments>> C :: 174.675 CA :: 55.849 CB :: 31.051 CG :: 26.904 CD :: 43.353 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 :: 8.065 HA :: 4.324 HB2 :: 1.707 HB3 :: 1.824 HG2 :: 1.564 HG3 :: 1.564 HD2 :: 3.159 HD3 :: 3.159 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 :: 122.940 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.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.29 R 0.13 G 0.08 C Shift Assignments>> CA :: 56.772 CB :: 43.385 CG :: 27.328 CD1 :: 25.236 CD2 :: 23.715 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 :: 7.862 HA :: 4.143 HB2 :: 1.574 HB3 :: 1.574 HG :: 1.597 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 129.481 Ave N Shift Values>> N :: 121.98(4.07) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 72 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 319 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 466 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 68 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S22 HB3 = 2.733(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.4470e-04 1.I28 HG13 = -0.161(S), Expected = 1.24, Std = 0.4000, ChiSquare = 4.6091e-04 1.Q37 HA = 5.735(S), Expected = 4.28, Std = 0.4400, ChiSquare = 9.4362e-04 1.E51 HG2 = 1.160(S), Expected = 2.31, Std = 0.2100, ChiSquare = 4.3458e-08 1.E51 HG3 = 1.465(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.7264e-05 1.C57 HB3 = 1.031(S), Expected = 2.98, Std = 0.4500, ChiSquare = 1.4836e-05