Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.75 M 0.22 C 0.01 C Shift Assignments>> CA :: 50.372 CB :: 16.320 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 K 0.13 P 0.02 M 0.01 Q 0.01 C Shift Assignments>> CA :: 53.287 CB :: 26.638 CG :: 30.872 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 :: 7.965 HA :: 4.112 HB2 :: 1.785 HB3 :: 1.793 HG2 :: 2.206 HG3 :: 1.982 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 :: 118.113 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.22 D 0.08 Y 0.08 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.242 CB :: 37.651 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 :: 7.231 HA :: 4.744 HB2 :: 2.870 HB3 :: 2.449 HD1 :: 6.209 HD2 :: 6.209 HZ :: 6.222 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 :: 119.667 Ave N Shift Values>> N :: 120.69(4.18) 1.K4 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.63 A 0.3 K 0.02 M 0.02 R 0.01 C Shift Assignments>> CA :: 52.965 CB :: 33.483 CG :: 22.191 CD :: 26.726 CE :: 39.847 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 :: 11.592(A) HA :: 4.973 HB2 :: 2.103 HB3 :: 2.045 HG2 :: 1.665 HG3 :: 1.665 HD2 :: 1.892 HD3 :: 1.892 HE2 :: 3.184 HE3 :: 3.184 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 :: 127.256 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.25 K 0.19 R 0.12 E 0.03 M 0.02 C Shift Assignments>> CA :: 54.931 CB :: 26.672 CG :: 33.795 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 :: 9.033 HA :: 2.856 HB2 :: 2.094 HB3 :: 2.011 HG2 :: 2.278 HG3 :: 2.278 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 :: 129.515 Ave N Shift Values>> N :: 120.68(3.68) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.28 K 0.08 C 0.07 D 0.06 F 0.05 G 0.03 Y 0.03 I 0.01 C Shift Assignments>> CA :: 42.961 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.963 HA2 :: 4.609 HA3 :: 3.773 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.522 Ave N Shift Values>> N :: 109.91(4.29) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 C 0.24 Q 0.19 R 0.14 M 0.1 E 0.02 C Shift Assignments>> CA :: 54.833 CB :: 28.898 CG :: 32.480 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 :: 7.596 HA :: 4.447 HB2 :: 1.928 HB3 :: 1.842 HG2 :: 2.021 HG3 :: 1.636 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 :: 120.649 Ave N Shift Values>> N :: 120.68(3.68) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 E 0.15 C 0.14 Q 0.12 M 0.1 K 0.09 V 0.01 I 0.01 C Shift Assignments>> CA :: 56.610 CB :: 30.671 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 :: 8.610 HA :: 5.075 HB2 :: 3.812 HB3 :: 3.210 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 :: 114.865 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.2 D 0.09 Y 0.07 F 0.05 E 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.024 CB :: 37.804 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.397 HA :: 5.724 HB2 :: 3.301 HB3 :: 3.045 HD1 :: 7.175 HD2 :: 7.175 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 :: 110.629 Ave N Shift Values>> N :: 120.79(4.69) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 P 0.25 M 0.15 R 0.09 K 0.09 C Shift Assignments>> CA :: 50.981 CB :: 29.903 CG :: 30.753 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 :: 9.342 HA :: 5.138 HB2 :: 2.294 HB3 :: 2.047 HG2 :: 2.489 HG3 :: 2.427 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 :: 119.632 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.21 I 0.03 HN Overlap>> 1.V151 1.V151 C Shift Assignments>> CA :: 60.261 CB :: 29.566 CG1 :: 19.596 CG2 :: 18.833 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 :: 9.384 HA :: 4.735 HB :: 2.276 HG11 :: 1.433 HG12 :: 1.433 HG13 :: 1.433 HG21 :: 1.214 HG22 :: 1.214 HG23 :: 1.214 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.720 Ave N Shift Values>> N :: 121.02(4.96) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 C 0.16 C Shift Assignments>> CA :: 51.224 CB :: 40.324 CG :: 24.263 CD1 :: 23.535 CD2 :: 18.571 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 :: 9.377 HA :: 4.716 HB2 :: 1.923 HB3 :: 1.836 HG :: 1.836 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 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 :: 128.988 Ave N Shift Values>> N :: 121.98(4.07) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 A 0.24 L 0.2 K 0.01 C Shift Assignments>> CA :: 53.563 CB :: 29.125 CG :: 22.262 CD :: 26.554 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 :: 8.445 HA :: 4.487 HB2 :: 2.097 HB3 :: 1.936 HG2 :: 1.621 HG3 :: 1.621 HD2 :: 1.877 HD3 :: 1.877 HE2 :: 3.252 HE3 :: 3.252 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 :: 117.600 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 S 0.32 C 0.29 T 0.04 C Shift Assignments>> CA :: 55.966 CB :: 66.067 CG2 :: 21.297 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 :: 7.556 HA :: 4.563 HB :: 4.332 HG21 :: 1.304 HG22 :: 1.304 HG23 :: 1.304 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 :: 111.976 Ave N Shift Values>> N :: 115.7(5.05) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 G 0.08 C Shift Assignments>> CA :: 59.562 CB :: 29.579 CG :: 24.909 CD :: 47.982 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 :: 4.580 HB2 :: 2.416 HB3 :: 2.029 HG2 :: 2.146 HD2 :: 3.883 HD3 :: 3.729 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.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 G 0.12 M 0.1 C 0.01 C Shift Assignments>> CA :: 48.966 CB :: 16.792 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.449 HA :: 4.726 HB1 :: 1.610 HB2 :: 1.610 HB3 :: 1.610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.241 Ave N Shift Values>> N :: 123.23(3.7) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> CA :: 55.287 CB :: 61.677 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 :: 4.486 HB2 :: 4.283 HB3 :: 3.757 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 :: 115.025 Ave N Shift Values>> N :: 116.3(3.95) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 56.857 CB :: 61.130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.579 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 :: 122.297 Ave N Shift Values>> N :: 116.3(3.95) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.58 C 0.29 P 0.11 C Shift Assignments>> CA :: 53.551 CB :: 61.307 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.730 HA :: 5.047 HB2 :: 3.982 HB3 :: 3.982 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 :: 116.122 Ave N Shift Values>> N :: 116.3(3.95) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.89 G 0.05 P 0.04 C Shift Assignments>> CA :: 60.641 CB :: 29.544 CG :: 25.146 CD :: 48.400 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 :: 5.184 HB2 :: 2.555 HB3 :: 2.020 HG2 :: 2.276 HG3 :: 2.136 HD2 :: 3.948 HD3 :: 3.870 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.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.11 I 0.02 C Shift Assignments>> CA :: 57.225 CB :: 32.941 CG1 :: 18.380 CG2 :: 16.785 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 :: 9.134 HA :: 5.330 HB :: 2.213 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.065 Ave N Shift Values>> N :: 121.02(4.96) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.34 A 0.01 C Shift Assignments>> CA :: 58.941 CB :: 31.626 CG1 :: 20.676 CG2 :: 18.953 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 :: 8.989 HA :: 4.774 HB :: 2.238 HG11 :: 1.115 HG12 :: 1.115 HG13 :: 1.115 HG21 :: 1.152 HG22 :: 1.152 HG23 :: 1.152 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 :: 126.828 Ave N Shift Values>> N :: 121.02(4.96) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.53 S 0.35 C 0.11 HN Overlap>> 1.D142 1.D142 C Shift Assignments>> CA :: 52.958 CB :: 62.544 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.436 HA :: 5.569 HB2 :: 3.651 HB3 :: 3.413 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 :: 121.317 Ave N Shift Values>> N :: 116.3(3.95) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.1 H 0.04 L 0.02 R 0.02 Q 0.02 K 0.01 C Shift Assignments>> CA :: 50.297 CB :: 28.467 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 :: 8.532 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 :: 121.988 Ave N Shift Values>> N :: 120.68(3.68) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.22 Y 0.14 D 0.1 F 0.09 E 0.07 M 0.02 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.642 CB :: 37.986 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 :: 9.839 HA :: 5.633 HB2 :: 3.294 HB3 :: 3.061 HE1 :: 7.356 HE2 :: 7.356 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 :: 129.056 Ave N Shift Values>> N :: 120.69(4.18) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 C 0.12 K 0.08 R 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 52.124 CB :: 41.755 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 :: 9.081 HA :: 5.377 HB2 :: 3.018 HB3 :: 2.958 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 :: 122.782 Ave N Shift Values>> N :: 120.69(4.18) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 S 0.09 C 0.07 C Shift Assignments>> CA :: 52.467 CB :: 62.456 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.608 HA :: 3.498 HB2 :: 3.396 HB3 :: 3.396 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 :: 112.270 Ave N Shift Values>> N :: 116.3(3.95) 1.F28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 E 0.24 Y 0.11 I 0.11 M 0.05 F 0.05 K 0.04 V 0.04 Q 0.01 C Shift Assignments>> CA :: 59.232 CB :: 36.014 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 :: 11.190(S) HA :: 4.498 HB2 :: 2.791 HB3 :: 2.500 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 :: 130.587 Ave N Shift Values>> N :: 120.69(4.18) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 Y 0.12 I 0.09 M 0.06 F 0.05 K 0.04 V 0.02 Q 0.01 C Shift Assignments>> CA :: 58.609 CB :: 36.163 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 :: 8.468 HA :: 4.370 HB2 :: 3.397 HB3 :: 2.699 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.838 Ave N Shift Values>> N :: 120.79(4.69) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.11 L 0.1 A 0.09 M 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 Y 0.03 E 0.03 F 0.02 HN Overlap>> 1.A164 1.A164 C Shift Assignments>> CA :: 54.438 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.735 HA :: 5.123 HB2 :: 3.359 HB3 :: 3.023 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 :: 125.341 Ave N Shift Values>> N :: 119.95(4.79) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.3 C 0.17 V 0.14 P 0.12 E 0.07 R 0.06 H 0.04 K 0.03 Q 0.03 M 0.01 C Shift Assignments>> CA :: 61.644 CB :: 29.815 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) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.16 Q 0.15 K 0.13 C 0.12 H 0.11 E 0.06 I 0.02 M 0.01 C Shift Assignments>> CA :: 56.002 CB :: 27.590 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 :: 9.581 HA :: 4.704 HB2 :: 3.436 HB3 :: 3.237 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 :: 126.707 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.41 C 0.08 R 0.03 C Shift Assignments>> CA :: 62.563 CB :: 26.635 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.519 HA :: 4.263 HB2 :: 3.111 HB3 :: 3.111 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 :: 129.359 Ave N Shift Values>> N :: 119.95(4.79) 1.N34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 E 0.17 N 0.15 M 0.14 Y 0.06 K 0.06 Q 0.03 F 0.02 C Shift Assignments>> CA :: 54.196 CB :: 35.963 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 :: 7.853 HA :: 3.273(S) HB2 :: 2.637 HB3 :: 2.030 HD21 :: 7.492 HD22 :: 6.803 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 :: 118.289 ND2 :: 113.236 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 62.364 CB :: 68.75 CG2 :: 19.871 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 :: 7.934 HA :: 4.039 HB :: 4.485 HG21 :: 1.447 HG22 :: 1.447 HG23 :: 1.447 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 :: 113.496 Ave N Shift Values>> N :: 115.7(5.05) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.21 Y 0.16 D 0.12 F 0.11 E 0.05 L 0.03 I 0.01 M 0.01 C Shift Assignments>> CA :: 54.898 CB :: 38.357 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.927 HA :: 4.424 HB2 :: 3.567 HB3 :: 2.970 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 :: 120.282 Ave N Shift Values>> N :: 120.69(4.18) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 F 0.11 C 0.1 E 0.1 S 0.09 R 0.08 K 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 57.920 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 :: 7.243 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.969 Ave N Shift Values>> N :: 120.68(3.68) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 G 0.46 P 0.01 C Shift Assignments>> CA :: 62.949 CB :: 28.641 CG :: 25.764 CD :: 47.264 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 :: 4.474 HB2 :: 2.470 HB3 :: 1.837 HG2 :: 2.112 HG3 :: 2.061 HD2 :: 3.842 HD3 :: 3.611 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.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 I 0.06 C Shift Assignments>> CA :: 61.611 CB :: 33.513 CG1 :: 26.274 CG2 :: 14.993 CD1 :: 9.806 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 :: 7.209 HA :: 3.788 HB :: 1.599 HG12 :: 1.512 HG13 :: 1.188 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 118.293 Ave N Shift Values>> N :: 121.6(4.72) 1.I40 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 A 0.01 C Shift Assignments>> CA :: 58.349 CB :: 32.515 CG1 :: 24.186 CG2 :: 15.966 CD1 :: 7.088(S) 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 :: 7.444 HA :: 3.661 HB :: 2.101 HG12 :: 1.331 HG13 :: 1.331 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 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 :: 121.403 Ave N Shift Values>> N :: 121.6(4.72) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.35 C 0.01 C Shift Assignments>> CA :: 52.635 CB :: 15.398 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.206 HA :: 3.957 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.152 Ave N Shift Values>> N :: 123.23(3.7) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 R 0.29 K 0.22 Q 0.12 M 0.02 C Shift Assignments>> CA :: 56.169 CB :: 27.076 CG :: 32.140 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 :: 7.249 HA :: 4.123 HB2 :: 2.368 HB3 :: 2.368 HG2 :: 2.664 HG3 :: 2.468 HE21 :: 7.217 HE22 :: 6.775 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 :: 116.414 NE2 :: 109.867 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L43 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.64 L 0.24 A 0.11 HN Overlap>> 1.F53 1.F53 C Shift Assignments>> CA :: 55.572 CB :: 39.606 CG :: 24.655 CD1 :: 23.384 CD2 :: 22.169 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 :: 8.735 HA :: 3.591 HB2 :: 2.182 HB3 :: 1.792 HG :: 1.656 HD11 :: 1.162 HD12 :: 1.162 HD13 :: 1.162 HD21 :: 22.109(A) HD22 :: 22.109(A) HD23 :: 22.109(A) 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 :: 122.553 Ave N Shift Values>> N :: 121.98(4.07) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 L 0.04 A 0.02 M 0.02 K 0.01 R 0.01 C Shift Assignments>> CA :: 57.116 CB :: 29.665 CG :: 22.406 CD :: 27.204 CE :: 39.106 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 :: 8.229 HA :: 3.643 HB2 :: 1.673 HB3 :: 1.507 HG2 :: 1.152 HG3 :: 0.967 HD2 :: 1.394 HD3 :: 1.356 HE2 :: 2.872 HE3 :: 2.832 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 :: 116.235 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 K 0.22 Q 0.03 M 0.02 C Shift Assignments>> CA :: 54.496 CB :: 26.367 CG :: 31.362 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 :: 7.182 HA :: 4.303 HB2 :: 2.337 HB3 :: 2.217 HG2 :: 2.630 HG3 :: 2.557 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 :: 115.165 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q46 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.4 C 0.26 R 0.2 K 0.08 L 0.01 C Shift Assignments>> CA :: 51.667 CB :: 26.459 CG :: 29.894(S) 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 :: 7.551 HA :: 4.613 HB2 :: 2.137 HB3 :: 2.037 HG2 :: 2.027 HG3 :: 2.027 HE21 :: 7.064 HE22 :: 6.936 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 :: 114.993 NE2 :: 111.145 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 C 0.32 C Shift Assignments>> CA :: 50.651 CB :: 38.669 CG :: 23.321 CD1 :: 23.250 CD2 :: 21.165 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 :: 7.067 HA :: 4.523 HB2 :: 1.913 HB3 :: 1.459 HG :: 2.231 HD11 :: 1.046 HD12 :: 1.046 HD13 :: 1.046 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 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 :: 121.063 Ave N Shift Values>> N :: 121.98(4.07) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 G 0.11 C Shift Assignments>> CA :: 59.768 CB :: 29.787 CG :: 24.791 CD :: 47.758 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 :: 4.598 HB2 :: 2.471 HB3 :: 2.034 HG2 :: 2.175 HG3 :: 2.062 HD2 :: 4.063 HD3 :: 3.336 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.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.26 K 0.2 R 0.14 E 0.04 M 0.01 C Shift Assignments>> CA :: 55.774 CB :: 26.983 CG :: 33.598 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 :: 8.579 HA :: 4.204 HB2 :: 2.159 HB3 :: 2.114 HG2 :: 2.460 HG3 :: 2.460 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 :: 121.850 Ave N Shift Values>> N :: 120.68(3.68) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.23 K 0.13 D 0.08 C 0.07 F 0.06 Y 0.04 G 0.01 I 0.01 C Shift Assignments>> CA :: 42.620 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.776 HA2 :: 4.390 HA3 :: 3.898 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.196 Ave N Shift Values>> N :: 109.91(4.29) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 G 0.17 M 0.05 C 0.01 C Shift Assignments>> CA :: 48.685 CB :: 17.671 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.805 HA :: 4.777 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.083 Ave N Shift Values>> N :: 123.23(3.7) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.23 A 0.17 K 0.1 V 0.01 C Shift Assignments>> CA :: 52.503 CB :: 32.515 CG :: 22.595 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 :: 7.857 HA :: 4.793 HB2 :: 1.994 HB3 :: 1.946 HG2 :: 1.704 HG3 :: 1.597 HD2 :: 1.853 HD3 :: 1.853 HE2 :: 3.157 HE3 :: 3.157 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 :: 121.691 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.24 C 0.15 Y 0.09 F 0.09 L 0.06 HN Overlap>> 1.L43 1.L43 C Shift Assignments>> CA :: 53.802 CB :: 39.345 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 :: 8.719 HA :: 5.744 HB2 :: 3.139 HB3 :: 2.944 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 7.174 HE2 :: 7.174 HZ :: 7.174 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 :: 122.535 Ave N Shift Values>> N :: 120.69(4.18) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 P 0.24 R 0.13 K 0.13 M 0.12 Q 0.01 HN Overlap>> 1.D116 1.D116 C Shift Assignments>> CA :: 51.526 CB :: 29.409 CG :: 31.001 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 :: 8.523 HA :: 4.578 HB2 :: 1.984 HB3 :: 1.862 HG2 :: 2.293 HG3 :: 2.180 HE21 :: 7.419 HE22 :: 6.761 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 :: 127.891 NE2 :: 110.246 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.13 L 0.06 C 0.05 M 0.04 H 0.04 R 0.02 Q 0.02 K 0.02 Y 0.01 F 0.01 P 0.01 C Shift Assignments>> CA :: 52.528 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 :: 8.549 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 :: 126.837 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.2 R 0.16 Q 0.14 C 0.14 H 0.13 K 0.12 E 0.05 M 0.01 C Shift Assignments>> CA :: 54.023 CB :: 27.768 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 :: 11.389(A) HA :: 4.109 HB2 :: 3.011 HB3 :: 2.509 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 :: 112.645 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 A 0.21 I 0.06 C Shift Assignments>> CA :: 56.528 CB :: 30.392 CG1 :: 19.444 CG2 :: 16.239 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 :: 7.340 HA :: 4.963 HB :: 1.917 HG11 :: 0.631 HG12 :: 0.631 HG13 :: 0.631 HG21 :: 0.262 HG22 :: 0.262 HG23 :: 0.262 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 :: 117.412 Ave N Shift Values>> N :: 121.02(4.96) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 56.974 CB :: 60.915 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.899 HB2 :: 4.047 HB3 :: 4.047 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 :: 117.794 Ave N Shift Values>> N :: 116.3(3.95) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.23 M 0.15 K 0.11 Q 0.09 Y 0.05 F 0.01 I 0.01 N 0.01 V 0.01 H 0.01 C Shift Assignments>> CA :: 56.471 CB :: 35.360 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 :: 6.942 HA :: 4.607 HB2 :: 3.417 HB3 :: 3.346 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 :: 115.292 Ave N Shift Values>> N :: 120.69(4.18) 1.M61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 M 0.2 H 0.13 R 0.1 P 0.1 K 0.1 Q 0.04 E 0.03 C Shift Assignments>> CA :: 52.391 CB :: 31.947 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 :: 6.705 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 :: 118.978 Ave N Shift Values>> N :: 120.1(3.88) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.15 K 0.14 L 0.14 Y 0.1 C 0.08 I 0.06 N 0.04 R 0.02 C Shift Assignments>> CA :: 41.145 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.561 HA2 :: 3.482 HA3 :: 2.834 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.277 Ave N Shift Values>> N :: 109.91(4.29) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.583 HA2 :: 4.118 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.541 Ave N Shift Values>> N :: 109.91(4.29) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.35 M 0.19 N 0.11 Q 0.09 K 0.08 E 0.08 Y 0.02 H 0.01 C Shift Assignments>> CA :: 52.837 CB :: 35.093 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>> HA :: 4.753 HB2 :: 3.151 HB3 :: 3.079 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) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 M 0.17 A 0.03 C Shift Assignments>> CA :: 51.314 CB :: 29.087 CG :: 30.145 CE :: 13.372 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 :: 7.816 HA :: 5.154 HB2 :: 2.754 HB3 :: 2.182 HG2 :: 2.912 HG3 :: 2.529 HE1 :: 1.910 HE2 :: 1.910 HE3 :: 1.910 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 :: 117.999 Ave N Shift Values>> N :: 120.1(3.88) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> CA :: 47.140 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.907 HA2 :: 4.538 HA3 :: 4.166 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.014 Ave N Shift Values>> N :: 109.91(4.29) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.32 R 0.24 Q 0.05 M 0.03 C Shift Assignments>> CA :: 56.688 CB :: 25.695 CG :: 31.999 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 :: 8.463 HA :: 4.396 HB2 :: 2.363 HB3 :: 2.363 HG2 :: 2.667 HG3 :: 2.514 HE21 :: 7.407 HE22 :: 6.845 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 :: 120.406 NE2 :: 111.207 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.48 C 0.01 C Shift Assignments>> CA :: 52.430 CB :: 15.916 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.054 HA :: 4.381 HB1 :: 1.804 HB2 :: 1.804 HB3 :: 1.804 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.898 Ave N Shift Values>> N :: 123.23(3.7) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.19 A 0.08 C Shift Assignments>> CA :: 53.525 CB :: 28.071 CG :: 30.910 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 :: 8.979 HA :: 4.750 HB2 :: 2.682 HB3 :: 2.682 HG2 :: 2.793 HG3 :: 2.793 HE1 :: 1.894 HE2 :: 1.894 HE3 :: 1.894 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 :: 118.959 Ave N Shift Values>> N :: 120.1(3.88) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.725 CB :: 60.717 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.586 HA :: 4.585 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 :: 118.456 Ave N Shift Values>> N :: 116.3(3.95) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 L 0.06 K 0.04 R 0.01 C Shift Assignments>> CA :: 57.638 CB :: 29.759 CG :: 24.573 CD :: 26.698 CE :: 39.345 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 :: 8.767 HA :: 3.904 HB2 :: 2.217 HB3 :: 1.335 HG2 :: 1.833 HG3 :: 1.113 HD2 :: 1.581 HD3 :: 1.446 HE2 :: 2.624 HE3 :: 2.440 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 :: 122.824 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.4 C 0.01 C Shift Assignments>> CA :: 53.107 CB :: 15.975 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.534 HA :: 4.376 HB1 :: 2.176 HB2 :: 2.176 HB3 :: 2.176 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.965 Ave N Shift Values>> N :: 123.23(3.7) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 I 0.09 Y 0.09 M 0.06 K 0.06 V 0.05 F 0.03 Q 0.03 C Shift Assignments>> CA :: 59.309 CB :: 35.714 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 :: 8.732 HA :: 5.042 HB2 :: 3.492 HB3 :: 3.226 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 7.052 HE2 :: 7.052 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 :: 119.958 Ave N Shift Values>> N :: 120.79(4.69) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.26 C 0.01 C Shift Assignments>> CA :: 52.574 CB :: 17.802 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.779 HA :: 4.222 HB1 :: 1.862 HB2 :: 1.862 HB3 :: 1.862 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 123.23(3.7) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 T 0.33 S 0.29 C Shift Assignments>> CA :: 65.527 CB :: 64.803 CG2 :: 19.390 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 :: 8.668 HA :: 3.712 HB :: 4.579 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 117.204 Ave N Shift Values>> N :: 115.7(5.05) 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.3 A 0.03 C Shift Assignments>> CA :: 57.423 CB :: 28.873 CG :: 31.432 CE :: 16.652 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 :: 8.353 HA :: 4.135 HB2 :: 2.897 HB3 :: 1.708 HG2 :: 2.578 HG3 :: 2.578 HE1 :: 1.916 HE2 :: 1.916 HE3 :: 1.916 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 :: 121.394 Ave N Shift Values>> N :: 120.1(3.88) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.22 C Shift Assignments>> CA :: 61.878 CB :: 35.132 CG1 :: 24.730 CG2 :: 14.533 CD1 :: 11.339 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 :: 7.412 HA :: 3.958 HB :: 2.191 HG12 :: 1.399 HG13 :: 1.130 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 HD11 :: 1.156 HD12 :: 1.156 HD13 :: 1.156 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 :: 117.573 Ave N Shift Values>> N :: 121.6(4.72) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.39 C 0.01 C Shift Assignments>> CA :: 52.578 CB :: 15.574 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.597 HA :: 4.249 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 :: 124.270 Ave N Shift Values>> N :: 123.23(3.7) 1.L79 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 C 0.2 C Shift Assignments>> CA :: 51.886 CB :: 40.503 CG :: 23.860 CD1 :: 20.105 CD2 :: 20.105 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 :: 8.316 HA :: 4.533 HB2 :: 1.988 HB3 :: 1.988 HG :: 1.032 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 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 :: 113.884 Ave N Shift Values>> N :: 121.98(4.07) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.36 M 0.09 Q 0.04 R 0.01 C Shift Assignments>> CA :: 54.837 CB :: 24.357 CG :: 34.584 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 :: 8.099 HA :: 4.501 HB2 :: 2.538 HB3 :: 2.497 HG2 :: 2.496 HG3 :: 2.364 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 :: 116.754 Ave N Shift Values>> N :: 120.68(3.68) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 A 0.14 I 0.07 C Shift Assignments>> CA :: 56.859 CB :: 29.779 CG1 :: 17.524 CG2 :: 17.512 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 :: 8.518 HA :: 5.318 HB :: 2.809 HG11 :: 1.157 HG12 :: 1.157 HG13 :: 1.157 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 108.084 Ave N Shift Values>> N :: 121.02(4.96) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.19 K 0.18 E 0.14 I 0.07 R 0.04 C Shift Assignments>> CA :: 58.888 CB :: 27.678 CG :: 34.576 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 :: 8.883 HA :: 4.019 HB2 :: 2.358 HB3 :: 2.140 HG2 :: 2.484 HG3 :: 2.352 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 :: 125.615 Ave N Shift Values>> N :: 120.68(3.68) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.26 Y 0.12 E 0.12 F 0.07 D 0.05 M 0.04 K 0.01 I 0.01 C Shift Assignments>> CA :: 54.476 CB :: 37.287 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 :: 8.289 HA :: 4.349 HB2 :: 2.830 HB3 :: 2.830 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.500 Ave N Shift Values>> N :: 120.73(4.2) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.16 M 0.03 K 0.03 R 0.03 C Shift Assignments>> CA :: 54.704 CB :: 31.554 CG :: 22.172 CD :: 26.721 CE :: 39.697 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 :: 7.515 HA :: 4.535 HB2 :: 2.091 HB3 :: 1.912 HG2 :: 1.646 HG3 :: 1.487 HD2 :: 1.903 HD3 :: 1.903 HE2 :: 3.267 HE3 :: 3.267 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 :: 116.733 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.03 I 0.01 C Shift Assignments>> CA :: 52.187 CB :: 27.470 CE :: 10.683 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 :: 8.561 HA :: 4.853 HB3 :: 2.361 HG2 :: 2.565 HG3 :: 2.340 HE1 :: 1.079 HE2 :: 1.079 HE3 :: 1.079 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 :: 113.260 Ave N Shift Values>> N :: 120.1(3.88) 1.V86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> CA :: 66.078 CB :: 27.133 CG1 :: 23.502 CG2 :: 19.256 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 :: 8.840 HA :: 4.370 HB :: 2.896 HG11 :: 1.816(S) HG12 :: 1.816(S) HG13 :: 1.816(S) HG21 :: 1.428 HG22 :: 1.428 HG23 :: 1.428 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 :: 122.227 Ave N Shift Values>> N :: 121.02(4.96) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 G 0.49 P 0.01 C Shift Assignments>> CA :: 63.109 CB :: 28.285 CD :: 47.274 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 :: 4.879 HB2 :: 2.604 HB3 :: 2.132 HG2 :: 2.384 HG3 :: 2.300 HD2 :: 3.916 HD3 :: 3.916 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.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.43 I 0.05 C Shift Assignments>> CA :: 63.377 CB :: 29.694 CG1 :: 20.472 CG2 :: 18.193 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 :: 6.754 HA :: 3.864 HB :: 2.169 HG11 :: 1.236 HG12 :: 1.236 HG13 :: 1.236 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 116.924 Ave N Shift Values>> N :: 121.02(4.96) 1.M89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.05 A 0.04 C Shift Assignments>> CA :: 54.279 CB :: 27.574 CG :: 29.403 CE :: 13.991 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 :: 8.338 HA :: 4.303 HB2 :: 1.319 HB3 :: 1.319 HG2 :: 1.603 HG3 :: 1.351 HE1 :: 1.605 HE2 :: 1.605 HE3 :: 1.605 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 :: 121.247 Ave N Shift Values>> N :: 120.1(3.88) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.28 E 0.12 Y 0.11 V 0.07 F 0.06 M 0.01 K 0.01 HN Overlap>> 1.F171 1.F171 C Shift Assignments>> CA :: 61.146 CB :: 36.344 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 :: 8.402 HA :: 4.761 HB2 :: 3.896 HB3 :: 3.262 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 :: 117.036 Ave N Shift Values>> N :: 120.69(4.18) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.27 E 0.13 Y 0.1 M 0.06 F 0.05 D 0.03 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.218 CB :: 36.896 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 :: 8.572 HA :: 4.772 HB2 :: 3.161 HB3 :: 3.011 HD21 :: 7.932 HD22 :: 7.087 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 :: 116.975 ND2 :: 113.709 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.34 K 0.14 I 0.09 C Shift Assignments>> CA :: 55.752 CB :: 27.157 CD :: 40.201 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 :: 8.732 HA :: 4.013 HB2 :: 2.185 HB3 :: 2.113 HG2 :: 1.743 HG3 :: 1.743 HD2 :: 3.324 HD3 :: 3.270 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 :: 121.933 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.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 62.670 CB :: 37.568 CG1 :: 26.717 CG2 :: 14.159 CD1 :: 11.463 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 :: 7.459 HA :: 3.393 HB :: 1.612 HG12 :: 1.724 HG13 :: 0.718 HG21 :: 0.363 HG22 :: 0.363 HG23 :: 0.363 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 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 :: 114.698 Ave N Shift Values>> N :: 121.6(4.72) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 E 0.15 R 0.15 Q 0.15 C 0.13 K 0.11 M 0.07 I 0.01 C Shift Assignments>> CA :: 56.493 CB :: 29.970 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 :: 8.451 HB2 :: 3.339 HB3 :: 3.225 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 :: 115.344 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.47 S 0.35 C 0.17 C Shift Assignments>> CA :: 62.582 CB :: 65.779 CG2 :: 20.013 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 :: 8.182 HA :: 4.620 HB :: 4.579 HG21 :: 1.405 HG22 :: 1.405 HG23 :: 1.405 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 :: 117.197 Ave N Shift Values>> N :: 115.7(5.05) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 C 0.31 C Shift Assignments>> CA :: 53.145 CB :: 38.599 CG :: 24.385 CD1 :: 22.656 CD2 :: 20.171 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 :: 8.378 HA :: 4.359 HB2 :: 2.177 HB3 :: 1.645 HG :: 1.752 HD11 :: 1.056 HD12 :: 1.056 HD13 :: 1.056 HD21 :: 1.019 HD22 :: 1.019 HD23 :: 1.019 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 :: 118.270 Ave N Shift Values>> N :: 121.98(4.07) 1.R97 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.25 K 0.02 A 0.01 C Shift Assignments>> CA :: 53.598 CB :: 24.040(A) CG :: 24.854 CD :: 41.129 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 :: 6.647 HA :: 4.170 HB2 :: 2.188 HB3 :: 2.114 HG2 :: 1.633 HG3 :: 1.633 HD2 :: 3.395 HD3 :: 3.395 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 :: 109.763 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.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 C 0.1 R 0.05 K 0.01 C Shift Assignments>> CA :: 50.525 CB :: 31.195 CD :: 26.808 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 :: 8.233 HA :: 4.969 HB2 :: 1.969 HB3 :: 1.425 HG2 :: 1.550 HG3 :: 1.550 HD2 :: 1.764 HD3 :: 1.764 HE2 :: 3.122 HE3 :: 3.122 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 :: 117.491 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P99 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.78 G 0.17 L 0.04 C Shift Assignments>> CA :: 58.787 CB :: 27.852 CG :: 24.854 CD :: 47.473 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 :: 2.493 HB3 :: 2.299 HG2 :: 2.232 HG3 :: 2.232 HD2 :: 3.809 HD3 :: 3.518 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.P100 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 G 0.42 L 0.06 R 0.01 C Shift Assignments>> CA :: 59.248 CB :: 28.135 CG :: 25.444 CD :: 46.297(S) 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 :: 4.722 HB2 :: 2.127 HB3 :: 1.982 HG2 :: 2.277 HG3 :: 1.944 HD2 :: 3.630 HD3 :: 3.424 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.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.17 R 0.04 M 0.02 K 0.01 L 0.01 C Shift Assignments>> CA :: 54.882 CB :: 30.712 CG :: 22.094 CD :: 26.423 CE :: 39.764 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 :: 9.356 HA :: 4.341 HB2 :: 1.978 HB3 :: 1.978 HG2 :: 1.674 HG3 :: 1.604 HD2 :: 1.873 HD3 :: 1.873 HE2 :: 3.215 HE3 :: 3.215 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 :: 123.402 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 C 0.17 L 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 50.229 CB :: 39.686 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 :: 7.608 HA :: 5.143 HB2 :: 3.317 HB3 :: 3.135 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 :: 113.742 Ave N Shift Values>> N :: 120.73(4.2) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.26 I 0.19 K 0.08 Q 0.03 C Shift Assignments>> CA :: 57.973 CB :: 27.613 CG :: 36.428 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 :: 9.015 HA :: 4.052 HB2 :: 2.320 HB3 :: 2.269 HG2 :: 2.664 HG3 :: 2.431 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 :: 117.262 Ave N Shift Values>> N :: 120.68(3.68) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.21 M 0.05 Q 0.02 V 0.01 C Shift Assignments>> CA :: 56.815 CB :: 25.161 CG :: 31.654 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 :: 8.380 HA :: 4.234 HB2 :: 2.357 HB3 :: 2.308 HG2 :: 2.580 HG3 :: 2.580 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.714 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.21 E 0.14 R 0.05 I 0.02 M 0.01 C Shift Assignments>> CA :: 56.953 CB :: 27.745 CG :: 34.586 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 :: 8.898 HA :: 4.159 HB2 :: 1.96 HB3 :: 2.130 HG2 :: 2.812 HG3 :: 2.348 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 :: 122.618 Ave N Shift Values>> N :: 120.68(3.68) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.44 A 0.06 C Shift Assignments>> CA :: 55.668 CB :: 40.738 CG :: 24.688 CD1 :: 24.230 CD2 :: 22.511 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 :: 7.833 HA :: 4.024 HB2 :: 2.194 HB3 :: 1.525 HG :: 1.733 HD11 :: 1.202 HD12 :: 1.202 HD13 :: 1.202 HD21 :: 1.147 HD22 :: 1.147 HD23 :: 1.147 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 :: 119.771 Ave N Shift Values>> N :: 121.98(4.07) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 K 0.31 C 0.23 R 0.03 C Shift Assignments>> CA :: 55.691 CB :: 27.482 CG :: 24.416 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>> H :: 7.681 HA :: 3.163 HB2 :: 1.898 HB3 :: 1.585 HG2 :: 1.188 HG3 :: 0.786 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 :: 119.004 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.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.33 K 0.27 M 0.03 C Shift Assignments>> CA :: 55.639 CB :: 25.658 CG :: 30.732 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 :: 7.916 HA :: 3.690 HB2 :: 2.352 HB3 :: 2.352 HG2 :: 2.670 HG3 :: 2.539 HE21 :: 8.110 HE22 :: 6.896 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 :: 119.367 NE2 :: 116.214 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.34 C Shift Assignments>> CA :: 62.864 CB :: 35.249 CG1 :: 26.430 CG2 :: 13.800 CD1 :: 12.411 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 :: 7.653 HA :: 3.730 HB :: 2.155 HG12 :: 2.214 HG13 :: 0.980 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 HD11 :: 0.949 HD12 :: 0.949 HD13 :: 0.949 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 :: 118.053 Ave N Shift Values>> N :: 121.6(4.72) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.27 Y 0.09 M 0.09 K 0.07 I 0.05 Q 0.04 F 0.03 V 0.03 C Shift Assignments>> CA :: 58.229 CB :: 35.741 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 :: 7.242 HA :: 4.122 HB2 :: 3.115 HB3 :: 2.503 HD1 :: 7.585 HD2 :: 7.585 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 :: 115.423 Ave N Shift Values>> N :: 120.69(4.18) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.31 V 0.01 HN Overlap>> 1.Y170 1.Y170 C Shift Assignments>> CA :: 55.463 CB :: 37.279 CG :: 24.941 CD1 :: 21.698 CD2 :: 20.488 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 :: 7.908 HA :: 4.452 HB2 :: 1.821 HB3 :: 1.821 HG :: 1.871 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 121.325 Ave N Shift Values>> N :: 121.98(4.07) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.24 Y 0.11 E 0.08 D 0.07 F 0.07 M 0.03 L 0.01 I 0.01 C Shift Assignments>> CA :: 54.180 CB :: 37.532 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 :: 9.090 HA :: 4.581 HB2 :: 2.977 HB3 :: 2.851 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 :: 121.233 Ave N Shift Values>> N :: 120.73(4.2) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 P 0.18 Q 0.17 K 0.12 R 0.11 M 0.01 E 0.01 C Shift Assignments>> CA :: 52.334 CB :: 26.837 CG :: 33.412 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 :: 7.339 HA :: 4.572 HB2 :: 2.391 HB3 :: 2.045 HG2 :: 2.579 HG3 :: 2.276 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 :: 117.110 Ave N Shift Values>> N :: 120.68(3.68) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.07 D 0.05 F 0.04 G 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.080 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.052 HA2 :: 4.417 HA3 :: 3.899 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.526 Ave N Shift Values>> N :: 109.91(4.29) 1.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 I 0.12 M 0.06 A 0.02 C Shift Assignments>> CA :: 57.811 CB :: 34.444 CG1 :: 27.833 CG2 :: 16.648 CD1 :: 10.670 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 :: 7.496 HA :: 4.237 HB :: 1.923 HG12 :: 1.783 HG13 :: 1.783 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 HD11 :: 1.208 HD12 :: 1.208 HD13 :: 1.208 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 :: 122.791 Ave N Shift Values>> N :: 121.6(4.72) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.26 L 0.12 C 0.12 F 0.05 Y 0.04 K 0.04 HN Overlap>> 1.Q54 1.Q54 C Shift Assignments>> CA :: 52.402 CB :: 40.630 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 :: 8.506 HA :: 4.556 HB2 :: 2.936 HB3 :: 2.818 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 :: 127.809 Ave N Shift Values>> N :: 120.73(4.2) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.48 C 0.01 I 0.01 C Shift Assignments>> CA :: 53.221 CB :: 16.565 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.776 HA :: 4.002 HB1 :: 1.604 HB2 :: 1.604 HB3 :: 1.604 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.844 Ave N Shift Values>> N :: 123.23(3.7) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.4 C 0.01 C Shift Assignments>> CA :: 52.430 CB :: 15.502 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.217 HA :: 4.401 HB1 :: 1.659 HB2 :: 1.659 HB3 :: 1.659 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.081 Ave N Shift Values>> N :: 123.23(3.7) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.07 K 0.05 R 0.05 A 0.02 M 0.01 C Shift Assignments>> CA :: 56.285 CB :: 29.979 CG :: 23.089 CD :: 26.564 CE :: 39.836 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 :: 8.048 HA :: 4.240 HB2 :: 2.169 HB3 :: 2.010 HG2 :: 1.864 HG3 :: 1.646 HD2 :: 1.969 HD3 :: 1.969 HE2 :: 3.222 HE3 :: 3.222 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.704 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 I 0.23 E 0.16 Y 0.13 F 0.06 V 0.05 M 0.02 K 0.02 C Shift Assignments>> CA :: 60.448 CB :: 36.365 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 :: 8.616 HA :: 3.846 HB2 :: 3.251 HB3 :: 2.829 HD1 :: 6.936 HD2 :: 6.936 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 :: 120.201 Ave N Shift Values>> N :: 120.69(4.18) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.19 Y 0.15 E 0.15 F 0.08 D 0.04 M 0.04 I 0.02 K 0.01 C Shift Assignments>> CA :: 55.174 CB :: 37.350 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 :: 9.137 HA :: 4.365 HB2 :: 2.839 HB3 :: 2.839 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 :: 119.738 Ave N Shift Values>> N :: 120.73(4.2) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 C 0.01 HN Overlap>> 1.R135 1.R135 C Shift Assignments>> CA :: 51.709 CB :: 15.887 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.740 HA :: 4.275 HB1 :: 1.631 HB2 :: 1.631 HB3 :: 1.631 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.988 Ave N Shift Values>> N :: 123.23(3.7) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C 0.01 C Shift Assignments>> CA :: 51.521 CB :: 16.605 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.536 HA :: 4.324 HB1 :: 1.473 HB2 :: 1.473 HB3 :: 1.473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.934 Ave N Shift Values>> N :: 123.23(3.7) 1.Y124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.24 Y 0.15 I 0.13 F 0.08 M 0.04 K 0.02 V 0.02 C Shift Assignments>> CA :: 58.961 CB :: 36.583 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 :: 9.092 HA :: 3.896 HB2 :: 2.249 HB3 :: 1.887 HE1 :: 6.815 HE2 :: 6.815 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 :: 120.204 Ave N Shift Values>> N :: 120.79(4.69) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.3 D 0.04 Y 0.02 M 0.01 F 0.01 E 0.01 C Shift Assignments>> CA :: 50.221 CB :: 37.178 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 :: 7.003 HA :: 4.936 HB2 :: 3.126 HB3 :: 2.830 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 :: 109.704 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.18 K 0.16 D 0.09 F 0.07 C 0.07 Y 0.04 I 0.02 G 0.01 N 0.01 HN Overlap>> 1.G144 1.G144 1.T179 1.T179 C Shift Assignments>> CA :: 42.439 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.640 HA2 :: 4.261 HA3 :: 4.182 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.711 Ave N Shift Values>> N :: 109.91(4.29) 1.F127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.23 Y 0.19 F 0.1 I 0.09 M 0.04 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.779 CB :: 37.058 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 :: 8.416 HA :: 4.473 HB2 :: 3.402 HB3 :: 3.230 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 :: 119.056 Ave N Shift Values>> N :: 120.69(4.18) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.19 C 0.01 I 0.01 C Shift Assignments>> CA :: 53.056 CB :: 14.759 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.489 HA :: 4.123 HB1 :: 1.578 HB2 :: 1.578 HB3 :: 1.578 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.793 Ave N Shift Values>> N :: 123.23(3.7) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.4 I 0.01 C Shift Assignments>> CA :: 64.260 CB :: 29.233 CG1 :: 21.813 CG2 :: 18.206 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 :: 8.504 HA :: 3.676 HB :: 2.016 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 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 :: 120.674 Ave N Shift Values>> N :: 121.02(4.96) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 C 0.16 Y 0.15 F 0.15 N 0.13 L 0.1 K 0.02 I 0.01 C Shift Assignments>> CA :: 55.371 CB :: 39.812 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 :: 7.251 HA :: 4.282 HB2 :: 2.751 HB3 :: 2.701 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 :: 119.498 Ave N Shift Values>> N :: 120.73(4.2) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 58.893 CB :: 60.240 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.279 HA :: 4.094 HB2 :: 3.920 HB3 :: 3.801 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 :: 112.070 Ave N Shift Values>> N :: 116.3(3.95) 1.M132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.4 C Shift Assignments>> CA :: 57.042 CB :: 31.898 CG :: 30.227 CE :: 14.677 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 :: 8.000 HA :: 3.770 HB2 :: 2.298 HB3 :: 1.672 HG2 :: 2.691 HG3 :: 2.361 HE1 :: 2.239 HE2 :: 2.239 HE3 :: 2.239 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 :: 122.586 Ave N Shift Values>> N :: 120.1(3.88) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.4 I 0.02 C Shift Assignments>> CA :: 63.763 CB :: 28.756 CG1 :: 20.676 CG2 :: 19.016 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 :: 7.919 HA :: 3.713 HB :: 2.333 HG11 :: 1.138 HG12 :: 1.138 HG13 :: 1.138 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 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 :: 116.900 Ave N Shift Values>> N :: 121.02(4.96) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 K 0.3 C 0.27 R 0.03 C Shift Assignments>> CA :: 56.745 CB :: 27.412 CG :: 25.916 CD :: 40.881 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 :: 7.690 HA :: 4.324 HB2 :: 2.180 HB3 :: 2.007 HG2 :: 1.977 HG3 :: 1.861 HD2 :: 3.411 HD3 :: 3.254 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 :: 117.242 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.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.32 C 0.25 R 0.01 HN Overlap>> 1.A122 1.A122 C Shift Assignments>> CA :: 56.873 CB :: 27.213 CG :: 24.858 CD :: 40.968 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 :: 7.701 HA :: 4.320 HB2 :: 2.157 HB3 :: 2.052 HG2 :: 1.972 HG3 :: 1.868 HD2 :: 3.369 HD3 :: 3.292 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.032 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.F136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.22 M 0.11 N 0.1 Y 0.09 K 0.05 F 0.04 Q 0.01 I 0.01 D 0.01 C Shift Assignments>> CA :: 55.198 CB :: 36.315 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 :: 8.801 HA :: 4.939 HB2 :: 4.043 HB3 :: 3.715 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 :: 120.525 Ave N Shift Values>> N :: 120.69(4.18) 1.D137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.22 Y 0.17 F 0.12 D 0.11 E 0.05 L 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 55.091 CB :: 38.329 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 :: 8.042 HA :: 4.991 HB2 :: 2.943 HB3 :: 2.943 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 :: 116.269 Ave N Shift Values>> N :: 120.73(4.2) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.19 V 0.09 K 0.07 A 0.02 L 0.02 R 0.01 C Shift Assignments>> CA :: 56.849 CB :: 30.167 CG :: 22.253 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 :: 8.604 HA :: 4.349 HB2 :: 2.186 HB3 :: 2.186 HG2 :: 1.674 HG3 :: 1.674 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 :: 122.499 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.24 R 0.22 Q 0.15 M 0.02 E 0.01 C Shift Assignments>> CA :: 56.758 CB :: 26.443 CG :: 32.712 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 :: 8.916 HA :: 4.367 HB2 :: 2.715 HB3 :: 2.526 HG2 :: 2.954 HG3 :: 2.732 HE21 :: 7.527 HE22 :: 7.021 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 :: 117.352 NE2 :: 110.344 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.19 E 0.19 I 0.16 F 0.11 M 0.02 K 0.01 V 0.01 C Shift Assignments>> CA :: 59.069 CB :: 37.065 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 :: 8.040 HA :: 3.612 HB2 :: 3.528 HB3 :: 3.337 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 :: 120.678 Ave N Shift Values>> N :: 120.69(4.18) 1.Q141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 R 0.31 K 0.26 Q 0.04 M 0.02 C Shift Assignments>> CA :: 56.397 CB :: 26.209 CG :: 31.676 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 :: 8.545 HA :: 4.141 HB2 :: 2.467 HB3 :: 2.387 HG2 :: 2.807 HG3 :: 2.675 HE21 :: 7.542 HE22 :: 6.906 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 :: 119.394 NE2 :: 110.900 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.25 Y 0.12 E 0.11 F 0.07 D 0.06 M 0.04 I 0.01 K 0.01 L 0.01 HN Overlap>> 1.S23 1.S23 C Shift Assignments>> CA :: 54.514 CB :: 37.441 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 :: 9.465 HA :: 4.509 HB2 :: 2.923 HB3 :: 2.736 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 :: 121.283 Ave N Shift Values>> N :: 120.73(4.2) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.945 CB :: 61.363 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.490 HA :: 4.324 HB2 :: 4.002 HB3 :: 3.814 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 :: 112.139 Ave N Shift Values>> N :: 116.3(3.95) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.05 F 0.04 Y 0.02 I 0.01 HN Overlap>> 1.G126 1.T179 1.G126 1.T179 C Shift Assignments>> CA :: 43.196 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.556 HA2 :: 4.017 HA3 :: 3.832 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.701 Ave N Shift Values>> N :: 109.91(4.29) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.34 L 0.08 C Shift Assignments>> CA :: 51.962 CB :: 39.801 CG :: 24.360 CD1 :: 23.507 CD2 :: 21.483 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 :: 6.840 HA :: 4.121 HB2 :: 1.012 HB3 :: 0.571 HG :: 1.282 HD11 :: 0.436 HD12 :: 0.436 HD13 :: 0.436 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 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 :: 118.849 Ave N Shift Values>> N :: 121.98(4.07) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.35 C 0.3 S 0.21 A 0.12 C Shift Assignments>> CA :: 58.575 CB :: 67.609 CG2 :: 18.889 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 :: 8.326 HA :: 4.491 HB :: 4.505 HG21 :: 1.208 HG22 :: 1.208 HG23 :: 1.208 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 :: 106.183 Ave N Shift Values>> N :: 115.7(5.05) 1.G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.21 K 0.14 D 0.09 C 0.07 F 0.06 Y 0.04 I 0.01 G 0.01 C Shift Assignments>> CA :: 42.568 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.567 HA2 :: 4.629 HA3 :: 4.236 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.728 Ave N Shift Values>> N :: 109.91(4.29) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.2 C Shift Assignments>> CA :: 55.248 CB :: 31.789 CG1 :: 21.654 CG2 :: 15.79 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 :: 8.261 HA :: 4.705 HB :: 2.273 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 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 :: 108.606 Ave N Shift Values>> N :: 121.02(4.96) 1.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.23 K 0.15 V 0.15 M 0.11 Q 0.09 R 0.08 E 0.06 H 0.05 I 0.01 P 0.01 C Shift Assignments>> CA :: 59.235 CB :: 32.765 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 :: 5.287 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.664 HG3 :: 1.664 HD2 :: 3.072 HD3 :: 3.072 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.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 G 0.08 C 0.07 M 0.05 L 0.02 C Shift Assignments>> CA :: 49.086 CB :: 20.985 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.513 HA :: 5.045 HB1 :: 1.834 HB2 :: 1.834 HB3 :: 1.834 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.473 Ave N Shift Values>> N :: 123.23(3.7) 1.V151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.16 I 0.03 A 0.01 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> CA :: 59.387 CB :: 30.807 CG1 :: 19.358 CG2 :: 18.306 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 :: 9.454 HA :: 5.362 HB :: 2.297 HG11 :: 1.318 HG12 :: 1.318 HG13 :: 1.318 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.774 Ave N Shift Values>> N :: 121.02(4.96) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.22 A 0.08 C Shift Assignments>> CA :: 57.415 CB :: 32.574 CG1 :: 19.893 CG2 :: 19.473 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 :: 9.412 HA :: 5.321 HB :: 2.178 HG11 :: 1.192 HG12 :: 1.192 HG13 :: 1.192 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 127.187 Ave N Shift Values>> N :: 121.02(4.96) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.28 A 0.01 C Shift Assignments>> CA :: 58.952 CB :: 31.347 CG1 :: 20.306 CG2 :: 18.729 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 :: 10.141 HA :: 4.975 HB :: 2.233 HG11 :: 1.181 HG12 :: 1.181 HG13 :: 1.181 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 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 :: 130.198 Ave N Shift Values>> N :: 121.02(4.96) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 P 0.2 M 0.19 Q 0.1 K 0.09 H 0.04 R 0.03 N 0.01 E 0.01 C Shift Assignments>> CA :: 51.849 CB :: 33.475 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 :: 10.449 HA :: 4.980 HB2 :: 3.575 HB3 :: 3.103 HD21 :: 7.544 HD22 :: 6.483 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 :: 128.306 ND2 :: 108.217 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.24 Y 0.07 E 0.05 D 0.05 F 0.04 M 0.03 C Shift Assignments>> CA :: 52.903 CB :: 37.225 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 :: 9.374 HA :: 4.263 HB2 :: 3.494 HB3 :: 3.031 HD21 :: 7.901 HD22 :: 6.947 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 :: 113.155 ND2 :: 110.574 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.09 A 0.01 C Shift Assignments>> CA :: 53.602 CB :: 31.739 CG :: 24.337 CD :: 41.678 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 :: 7.582 HA :: 4.501 HB2 :: 1.503 HB3 :: 1.204 HG2 :: 1.324 HG3 :: 1.062 HD2 :: 3.252 HD3 :: 3.088 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 :: 117.568 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.Y157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.21 D 0.1 Y 0.1 F 0.06 E 0.04 M 0.02 L 0.01 C Shift Assignments>> CA :: 53.658 CB :: 37.894 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 :: 8.401 HA :: 5.645 HB2 :: 3.095 HB3 :: 2.850 HD1 :: 6.973 HD2 :: 6.973 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 :: 117.911 Ave N Shift Values>> N :: 120.79(4.69) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 L 0.26 C 0.22 G 0.02 C Shift Assignments>> CA :: 51.783 CB :: 41.846 CG :: 24.883 CD1 :: 23.584 CD2 :: 21.515 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 :: 9.542 HA :: 5.082 HB2 :: 2.139 HB3 :: 1.516 HG :: 1.662 HD11 :: 1.049 HD12 :: 1.049 HD13 :: 1.049 HD21 :: 1.252 HD22 :: 1.252 HD23 :: 1.252 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 :: 127.956 Ave N Shift Values>> N :: 121.98(4.07) 1.V159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.39 C Shift Assignments>> CA :: 61.789 CB :: 30.130 CG1 :: 20.667 CG2 :: 19.584 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 :: 9.028 HA :: 3.911 HB :: 2.380 HG11 :: 1.075 HG12 :: 1.075 HG13 :: 1.075 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 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 :: 129.011 Ave N Shift Values>> N :: 121.02(4.96) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.2 P 0.18 R 0.17 M 0.04 C Shift Assignments>> CA :: 52.018 CB :: 25.177 CG :: 31.015 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.415 HA :: 4.992 HB2 :: 2.289 HB3 :: 2.289 HG2 :: 2.326 HG3 :: 2.326 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 :: 128.073 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.115 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.537 HA2 :: 4.286 HA3 :: 4.072 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.587 Ave N Shift Values>> N :: 109.91(4.29) 1.Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.32 R 0.26 M 0.04 Q 0.01 C Shift Assignments>> CA :: 54.701 CB :: 25.439 CG :: 31.349 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 :: 9.049 HA :: 4.471 HB2 :: 2.296 HB3 :: 2.248 HG2 :: 2.577 HG3 :: 2.541 HE21 :: 7.626 HE22 :: 6.880 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 :: 118.792 NE2 :: 111.696 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C 0.01 C Shift Assignments>> CA :: 56.909 CB :: 60.976 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.160 HA :: 4.547 HB2 :: 4.164 HB3 :: 4.094 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 :: 114.874 Ave N Shift Values>> N :: 116.3(3.95) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 G 0.12 M 0.11 C 0.02 HN Overlap>> 1.C30 1.C30 C Shift Assignments>> CA :: 48.998 CB :: 16.581 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.733 HA :: 4.831 HB1 :: 1.686 HB2 :: 1.686 HB3 :: 1.686 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.231 Ave N Shift Values>> N :: 123.23(3.7) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 A 0.17 L 0.08 R 0.02 K 0.01 C Shift Assignments>> CA :: 54.408 CB :: 29.859 CG :: 22.407 CD :: 26.236 CE :: 39.692 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 :: 9.182 HA :: 4.426 HB2 :: 2.137 HB3 :: 2.056 HG2 :: 1.777 HG3 :: 1.698 HD2 :: 1.928 HD3 :: 1.928 HE2 :: 3.259 HE3 :: 3.259 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 :: 121.752 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 C 0.04 P 0.04 C Shift Assignments>> CA :: 53.787 CB :: 63.101 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.777 HA :: 4.813 HB2 :: 4.307 HB3 :: 4.144 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 :: 111.097 Ave N Shift Values>> N :: 116.3(3.95) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 A 0.17 L 0.03 C Shift Assignments>> CA :: 55.058 CB :: 38.435 CG :: 24.175 CD1 :: 22.133 CD2 :: 22.133 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 :: 8.922 HA :: 4.000 HB2 :: 1.655 HB3 :: 1.482 HG :: 1.456 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.661 Ave N Shift Values>> N :: 121.98(4.07) 1.D168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.24 Y 0.14 E 0.09 F 0.09 D 0.07 M 0.03 I 0.01 L 0.01 C Shift Assignments>> CA :: 54.775 CB :: 37.734 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 :: 8.056 HA :: 4.403 HB2 :: 2.878 HB3 :: 2.674 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 :: 115.615 Ave N Shift Values>> N :: 120.73(4.2) 1.E169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 K 0.19 Q 0.18 I 0.04 R 0.02 C Shift Assignments>> CA :: 56.706 CB :: 27.961 CG :: 35.195 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 :: 7.746 HA :: 4.377 HB2 :: 2.392 HB3 :: 2.322 HG2 :: 2.683 HG3 :: 2.593 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.385 Ave N Shift Values>> N :: 120.68(3.68) 1.Y170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.22 I 0.13 Y 0.1 V 0.06 M 0.05 K 0.04 F 0.04 Q 0.02 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> CA :: 59.767 CB :: 35.824 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.953 HA :: 3.999 HB2 :: 3.275 HB3 :: 3.023 HD1 :: 7.045 HD2 :: 7.045 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 :: 121.391 Ave N Shift Values>> N :: 120.79(4.69) 1.F171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Q 0.21 M 0.2 K 0.17 E 0.08 H 0.03 R 0.03 V 0.01 Y 0.01 HN Overlap>> 1.F90 1.F90 C Shift Assignments>> CA :: 55.908 CB :: 34.112 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 :: 8.427 HA :: 4.461 HB2 :: 3.408 HB3 :: 3.408 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 :: 117.039 Ave N Shift Values>> N :: 120.69(4.18) 1.D172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.24 Y 0.15 F 0.1 E 0.09 D 0.07 M 0.02 I 0.01 L 0.01 C Shift Assignments>> CA :: 54.941 CB :: 37.776 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 :: 8.342 HA :: 4.642 HB2 :: 3.241 HB3 :: 2.990 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 :: 120.487 Ave N Shift Values>> N :: 120.73(4.2) 1.L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.39 I 0.02 L 0.02 C Shift Assignments>> CA :: 55.189 CB :: 37.972 CD1 :: 24.320 CD2 :: 20.171 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 :: 8.327 HA :: 3.219 HB2 :: 2.082 HB3 :: 0.852 HG :: 1.235 HD11 :: 1.096 HD12 :: 1.096 HD13 :: 1.096 HD21 :: 0.541 HD22 :: 0.541 HD23 :: 0.541 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 :: 124.189 Ave N Shift Values>> N :: 121.98(4.07) 1.V174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.29 I 0.02 C Shift Assignments>> CA :: 65.171 CB :: 28.535 CG1 :: 20.387 CG2 :: 19.264 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 :: 7.957 HA :: 3.333 HB :: 2.150 HG11 :: 0.858 HG12 :: 0.858 HG13 :: 0.858 HG21 :: 0.980 HG22 :: 0.980 HG23 :: 0.980 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 :: 119.598 Ave N Shift Values>> N :: 121.02(4.96) 1.N175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 M 0.16 E 0.15 N 0.13 K 0.07 Y 0.05 Q 0.05 F 0.01 C Shift Assignments>> CA :: 53.931 CB :: 35.713 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 :: 8.356 HA :: 4.489 HB2 :: 3.033 HB3 :: 2.839 HD21 :: 7.364 HD22 :: 7.041 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 :: 116.379 ND2 :: 108.740 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.28 M 0.1 Y 0.08 K 0.07 Q 0.04 I 0.04 F 0.03 V 0.02 C Shift Assignments>> CA :: 57.781 CB :: 35.745 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 :: 8.419 HA :: 4.460 HB2 :: 3.497 HB3 :: 3.218 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 :: 121.674 Ave N Shift Values>> N :: 120.79(4.69) 1.L177 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.86 A 0.07 L 0.06 C Shift Assignments>> CA :: 54.521 CB :: 38.883 CG :: 23.299 CD1 :: 24.433 CD2 :: 24.89 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 :: 8.310 HA :: 3.370 HB2 :: 1.949 HB3 :: 0.984 HG :: 1.821 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: -0.259(S) HD22 :: -0.259(S) HD23 :: -0.259(S) 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 :: 121.575 Ave N Shift Values>> N :: 121.98(4.07) 1.L178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.3 A 0.15 C Shift Assignments>> CA :: 54.500 CB :: 40.502 CG :: 24.170 CD1 :: 24.124 CD2 :: 22.453 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 :: 7.867 HA :: 4.026 HB2 :: 2.140 HB3 :: 1.548 HG :: 1.900 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 1.010 HD22 :: 1.010 HD23 :: 1.010 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 :: 117.139 Ave N Shift Values>> N :: 121.98(4.07) 1.T179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.37 S 0.3 C 0.26 A 0.05 HN Overlap>> 1.G144 1.G126 1.G144 1.G126 C Shift Assignments>> CA :: 59.179 CB :: 67.278 CG2 :: 18.974 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 :: 7.612 HA :: 4.385 HB :: 4.508 HG21 :: 1.433 HG22 :: 1.433 HG23 :: 1.433 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 :: 107.762 Ave N Shift Values>> N :: 115.7(5.05) 1.L180 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.26 C Shift Assignments>> CA :: 52.683 CB :: 38.601 CG :: 23.338 CD1 :: 22.060 CD2 :: 19.782 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 :: 7.262 HA :: 4.283 HB2 :: 1.490 HB3 :: 1.373 HG :: 1.231 HD11 :: 0.300 HD12 :: 0.300 HD13 :: 0.300 HD21 :: 0.521 HD22 :: 0.521 HD23 :: 0.521 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 :: 124.672 Ave N Shift Values>> N :: 121.98(4.07) 1.K181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 A 0.21 K 0.03 M 0.01 C Shift Assignments>> CA :: 54.434 CB :: 31.501 CG :: 22.101 CE :: 39.761 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 :: 7.889 HA :: 4.473 HB2 :: 2.044 HB3 :: 1.843 HE2 :: 3.170 HE3 :: 3.170 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 :: 127.311 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 167 #Clerical: 0 #Suspicious: 4 #Anomalous: 3 #Mistyped: 7 #Indeterminable: 0 Typing Results: #Consistent: 173 #Suspicious: 0 #Mistyped: 7 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 181 #Suspicious: 0 C Shift Results: #Consistent: 522 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent:1144 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 5 N Shift Results: #Consistent: 182 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K4 H = 11.592(A), Expected = 8.22, Std = 0.6400, ChiSquare = 1.3736e-07 1.F28 H = 11.190(S), Expected = 8.42, Std = 0.7400, ChiSquare = 1.8166e-04 1.N34 HA = 3.273(S), Expected = 4.70, Std = 0.3900, ChiSquare = 2.5323e-04 1.I40 Typing: Mistyped 1.I40 CD1 = 7.088(S), Expected = 13.41, Std = 1.9100, ChiSquare = 9.3313e-04 1.L43 HD21 = 22.109(A), Expected = 0.76, Std = 0.2800, ChiSquare = 0.0000e+00 1.L43 HD22 = 22.109(A), Expected = 0.76, Std = 0.2800, ChiSquare = 0.0000e+00 1.L43 HD23 = 22.109(A), Expected = 0.76, Std = 0.2800, ChiSquare = 0.0000e+00 1.Q46 Typing: Mistyped 1.Q46 CG = 29.894(S), Expected = 33.72, Std = 1.1000, ChiSquare = 5.0483e-04 1.H57 H = 11.389(A), Expected = 8.25, Std = 0.7400, ChiSquare = 2.2164e-05 1.L79 Typing: Mistyped 1.V86 HG11 = 1.816(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0056e-04 1.V86 HG12 = 1.816(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0056e-04 1.V86 HG13 = 1.816(S), Expected = 0.84, Std = 0.2700, ChiSquare = 3.0056e-04 1.R97 Typing: Mistyped 1.R97 CB = 24.040(A), Expected = 30.66, Std = 1.7700, ChiSquare = 1.8394e-04 1.P99 Typing: Mistyped 1.P100 Typing: Mistyped 1.P100 CD = 46.297(S), Expected = 50.28, Std = 1.0400, ChiSquare = 1.2824e-04 1.L177 HD21 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L177 HD22 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L177 HD23 = -0.259(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.7340e-04 1.L180 Typing: Mistyped