Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> CA :: 61.666 CB :: 33.072 CG2 :: 21.106 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.11 HA :: 4.038 HB :: 1.951 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.288 Ave N Shift Values>> N :: 121.14(4.54) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 C Shift Assignments>> CA :: 52.23 CB :: 19.366 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.336 HA :: 4.291 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.432 Ave N Shift Values>> N :: 123.23(3.54) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.31 A 0.19 HN Overlap>> 1.V46 1.V46 C Shift Assignments>> CA :: 55.078 CB :: 33.275 CE :: 17.283 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.347 HA :: 4.415 HB2 :: 1.963 HB3 :: 1.939 HE1 :: 1.963 HE2 :: 1.963 HE3 :: 1.963 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.923 Ave N Shift Values>> N :: 120.09(3.57) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.942 CB :: 64.139 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.138 HA :: 4.745 HB2 :: 3.858 HB3 :: 3.732 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.587 Ave N Shift Values>> N :: 116.28(3.52) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> CA :: 59.667 CB :: 40.907 CD1 :: 131.975 CD2 :: 131.975 CE1 :: 131.478 CE2 :: 131.478 CZ :: 129.689 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.577 HA :: 4.316 HB2 :: 3.116 HB3 :: 3.116 HD1 :: 7.352 HD2 :: 7.352 HE1 :: 7.102 HE2 :: 7.102 HZ :: 6.898 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.043 Ave N Shift Values>> N :: 120.45(4.18) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.072 CB :: 63.784 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31 HA :: 4.341 HB2 :: 3.977 HB3 :: 3.845 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.516 Ave N Shift Values>> N :: 116.28(3.52) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.051 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.965 HA2 :: 3.771 HA3 :: 3.87 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.418 Ave N Shift Values>> N :: 109.67(3.87) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> CA :: 55.162 CB :: 34.852 CG :: 25.784 CD :: 29.474 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.224 HA :: 5.098 HB2 :: 1.559 HB3 :: 1.559 HG2 :: 1.375 HG3 :: 1.152 HD2 :: 1.507 HD3 :: 1.59 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.356 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> CA :: 55.859 CB :: 41.779 CD1 :: 133.416 CE1 :: 117.642 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.17 HA :: 5.024 HB2 :: 2.67 HB3 :: 2.364 HD1 :: 6.746 HD2 :: 6.746 HE1 :: 6.442 HE2 :: 6.442 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.846 Ave N Shift Values>> N :: 120.52(4.2) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.26 Q 0.19 E 0.03 K 0.01 C Shift Assignments>> CA :: 54.231 CB :: 31.845 CG :: 33.692 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.224 HA :: 4.928 HB2 :: 2.036 HB3 :: 2.012 HG2 :: 2.387 HG3 :: 2.198 HE21 :: 6.758 HE22 :: 7.442 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.98 NE2 :: 108.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.36 R 0.15 G 0.03 C Shift Assignments>> CA :: 57.342 CB :: 42.798 CG :: 26.817 CD1 :: 24.392 CD2 :: 26.316 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.578 HA :: 4.5 HB2 :: 1.682 HB3 :: 1.521 HG :: 1.414 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.448 Ave N Shift Values>> N :: 121.86(3.9) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.31 Q 0.16 E 0.14 K 0.01 C Shift Assignments>> CA :: 56.084 CB :: 31.858 CG :: 34.596 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 10.048 HA :: 4.526 HB2 :: 2.147 HB3 :: 1.936 HG2 :: 2.382 HG3 :: 2.356 HE21 :: 6.982 HE22 :: 7.133 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.25 NE2 :: 110.085 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.575 CB :: 64.969 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.957 HA :: 4.677 HB2 :: 3.853 HB3 :: 3.812 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.205 Ave N Shift Values>> N :: 116.28(3.52) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 C 0.32 Q 0.04 K 0.01 C Shift Assignments>> CA :: 54.199 CB :: 32.826 CG :: 32.098 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.547 HA :: 5.49 HB2 :: 2.285 HB3 :: 2.225 HG2 :: 2.46 HG3 :: 2.407 HE21 :: 7.061 HE22 :: 6.045 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.155 NE2 :: 106.477 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.26 E 0.11 Q 0.01 C Shift Assignments>> CA :: 55.078 CB :: 33.781 CG :: 35.881 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.099 HA :: 4.812 HB2 :: 2.102 HB3 :: 1.885 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.352 Ave N Shift Values>> N :: 120.67(3.48) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.21 E 0.2 M 0.13 Y 0.07 F 0.04 K 0.03 Q 0.02 D 0.01 C Shift Assignments>> CA :: 54.266 CB :: 36.367 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.226 HA :: 4.801 HB2 :: 3.197 HB3 :: 3.522 HD21 :: 7.089 HD22 :: 7.894 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.361 ND2 :: 111.663 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> CA :: 62.051 CB :: 39.983 CD1 :: 131.921 CD2 :: 131.921 CE1 :: 131.662 CE2 :: 131.662 CZ :: 129.242 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.407 HA :: 3.543 HB2 :: 3.014 HB3 :: 2.978 HD1 :: 7.035 HD2 :: 7.035 HE1 :: 7.373 HE2 :: 7.373 HZ :: 7.109 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.454 Ave N Shift Values>> N :: 120.45(4.18) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.35 E 0.08 C Shift Assignments>> CA :: 61.099 CB :: 28.729 CG :: 37.704 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.419 HA :: 3.455 HB2 :: 2.071 HB3 :: 2.019 HG2 :: 2.335 HG3 :: 2.248 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.748 Ave N Shift Values>> N :: 120.67(3.48) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.618 CB :: 18.432 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.225 HA :: 3.923 HB1 :: 1.345 HB2 :: 1.345 HB3 :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.859 Ave N Shift Values>> N :: 123.23(3.54) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.41 C 0.14 C Shift Assignments>> CA :: 61.951 CB :: 40.231 CD1 :: 132.153 CD2 :: 132.153 CE1 :: 131.062 CE2 :: 131.062 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.818 HA :: 3.831 HB2 :: 2.468 HB3 :: 2.834 HD1 :: 6.722 HD2 :: 6.722 HE1 :: 7.016 HE2 :: 7.016 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.686 Ave N Shift Values>> N :: 120.45(4.18) 1.M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.32 A 0.21 C Shift Assignments>> CA :: 55.921 CB :: 31.517 CG :: 32.359 CE :: 19.567 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.131 HA :: 4.036 HB2 :: 1.345 HB3 :: 1.553 HG2 :: 1.464 HG3 :: 1.464 HE1 :: 1.628 HE2 :: 1.628 HE3 :: 1.628 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 111.922 Ave N Shift Values>> N :: 120.09(3.57) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 C Shift Assignments>> CA :: 58.949 CB :: 32.328 CG :: 25.343 CD :: 29.195 CE :: 42.098 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.073 HA :: 3.921 HB2 :: 1.73 HB3 :: 1.73 HG2 :: 1.301 HG3 :: 1.46 HD2 :: 1.585 HD3 :: 1.585 HE2 :: 2.881 HE3 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.201 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.44 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.705 CB :: 18.302 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.462 HA :: 3.969 HB1 :: 1.282 HB2 :: 1.282 HB3 :: 1.282 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.319 Ave N Shift Values>> N :: 123.23(3.54) 1.I30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.464 CB :: 37.777 CG1 :: 26.294 CG2 :: 17.795 CD1 :: 14.947 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.334 HA :: 4.112 HB :: 1.891 HG12 :: 1.184 HG13 :: 1.061 HG21 :: 0.378 HG22 :: 0.378 HG23 :: 0.378 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 107.27(S) Ave N Shift Values>> N :: 121.46(4.28) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.681 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.392 HA2 :: 3.614 HA3 :: 4.067 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.616 Ave N Shift Values>> N :: 109.67(3.87) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.22 R 0.05 G 0.01 A 0.01 C Shift Assignments>> CA :: 53.745 CB :: 42.139 CG :: 27.486 CD1 :: 24.369 CD2 :: 25.343 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.791 HA :: 4.357 HB2 :: 1.339 HB3 :: 1.14 HG :: 1.604 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.508 Ave N Shift Values>> N :: 121.86(3.9) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 62.626 CB :: 32.739 CG :: 27.802 CD :: 50.699 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.378 HB2 :: 2.436 HB3 :: 1.892 HG2 :: 2.048 HG3 :: 2.083 HD2 :: 3.481 HD3 :: 3.976 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.14 K 0.08 Q 0.05 M 0.01 C Shift Assignments>> CA :: 59.789 CB :: 29.525 CG :: 35.811 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.729 HA :: 3.817 HB2 :: 2.063 HB3 :: 1.969 HG2 :: 2.29 HG3 :: 2.29 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.17 K 0.09 Q 0.05 C Shift Assignments>> CA :: 59.478 CB :: 28.961 CG :: 35.968 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.262 HA :: 4.067 HB2 :: 2.032 HB3 :: 1.921 HG2 :: 2.29 HG3 :: 2.227 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.801 Ave N Shift Values>> N :: 120.67(3.48) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.4 R 0.04 C Shift Assignments>> CA :: 56.614 CB :: 41.617 CG :: 27.613 CD1 :: 23.284 CD2 :: 25.152 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.164 HA :: 4.219 HB2 :: 1.775 HB3 :: 1.572 HG :: 1.671 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.868 Ave N Shift Values>> N :: 121.86(3.9) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 65.878 CB :: 37.746 CG1 :: 29.312 CG2 :: 17.865 CD1 :: 13.335 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.768 HA :: 3.563 HB :: 2.038 HG12 :: 1.632 HG13 :: 0.396 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.649 HD12 :: 0.649 HD13 :: 0.649 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.41 Ave N Shift Values>> N :: 121.46(4.28) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.25 R 0.1 E 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.361 CB :: 28.187 CG :: 33.493 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.184 HA :: 3.933 HB2 :: 2.121 HB3 :: 2.066 HG2 :: 2.458 HG3 :: 2.458 HE21 :: 7.546 HE22 :: 6.894 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.111 NE2 :: 110.087 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.42 R 0.13 C Shift Assignments>> CA :: 57.915 CB :: 33.122 CG :: 25.451 CD :: 29.056 CE :: 42.096 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.511 HA :: 4.182 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.621 HG3 :: 1.489 HD2 :: 1.621 HD3 :: 1.67 HE2 :: 2.957 HE3 :: 2.957 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.339 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.965 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.844 HA2 :: 3.78 HA3 :: 4.112 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.827 Ave N Shift Values>> N :: 109.67(3.87) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.39 R 0.09 G 0.01 C Shift Assignments>> CA :: 58.609 CB :: 32.169 CG :: 23.718 CD :: 29.598 CE :: 42.287 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.444 HA :: 3.053 HB2 :: 1.734 HB3 :: 1.734 HG2 :: 1.425 HG3 :: 1.291 HD2 :: 1.621 HD3 :: 1.645 HE2 :: 3.005 HE3 :: 3.005 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.974 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.03 C Shift Assignments>> CA :: 54.288 CB :: 41.485 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.742 HA :: 4.718 HB2 :: 2.419 HB3 :: 2.749 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.5 Ave N Shift Values>> N :: 120.65(3.86) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 61.042 CB :: 38.016 CG1 :: 27.444 CG2 :: 17.118 CD1 :: 12.415 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.117 HA :: 3.882 HB :: 1.77 HG12 :: 1.482 HG13 :: 1.145 HG21 :: 0.747 HG22 :: 0.747 HG23 :: 0.747 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.506 Ave N Shift Values>> N :: 121.46(4.28) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.4 C Shift Assignments>> CA :: 55.024 CB :: 31.842 CG :: 24.532 CD :: 28.847 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.579 HA :: 4.495 HB2 :: 1.823 HB3 :: 1.823 HG2 :: 1.426 HG3 :: 1.233 HD2 :: 1.596 HD3 :: 1.596 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.804 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.316 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.831 HA2 :: 3.934 HA3 :: 4.316 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.182 Ave N Shift Values>> N :: 109.67(3.87) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.M9 1.M9 C Shift Assignments>> CA :: 60.825 CB :: 35.119 CG1 :: 21.607 CG2 :: 21.61 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.299 HA :: 4.992 HB :: 1.996 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 121.14(4.54) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.134 CB :: 65.288 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.218 HA :: 5.327 HB2 :: 3.806 HB3 :: 3.746 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.171 Ave N Shift Values>> N :: 116.28(3.52) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.28 E 0.23 Q 0.01 C Shift Assignments>> CA :: 54.96 CB :: 32.529 CG :: 36.644 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.405 HA :: 5.305 HB2 :: 1.858 HB3 :: 2.062 HG2 :: 1.974 HG3 :: 2.139 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 120.67(3.48) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> CA :: 60.047 CB :: 40.343 CG1 :: 26.44 CG2 :: 17.495 CD1 :: 14.437 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.372 HA :: 4.833 HB :: 1.95 HG12 :: 1.256 HG13 :: -0.062 HG21 :: 0.42 HG22 :: 0.42 HG23 :: 0.42 HD11 :: 0.519 HD12 :: 0.519 HD13 :: 0.519 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.435 Ave N Shift Values>> N :: 121.46(4.28) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.I67 1.E94 1.V109 1.I67 1.E94 1.V109 C Shift Assignments>> CA :: 62.119 CB :: 34.27 CG1 :: 20.95 CG2 :: 20.446 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.027 HA :: 4.137 HB :: 1.891 HG11 :: 0.787 HG12 :: 0.787 HG13 :: 0.787 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.778 Ave N Shift Values>> N :: 121.14(4.54) 1.Q51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> M 0.29 C 0.27 K 0.22 Q 0.17 R 0.02 C Shift Assignments>> CA :: 53.618 CB :: 30.111 CG :: 32.168 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.534 HA :: 4.399 HB2 :: 1.866 HB3 :: 1.119 HG2 :: 1.78 HG3 :: 0.845(S) HE21 :: 7.322 HE22 :: 6.952 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.14 NE2 :: 104.455(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.26 L 0.07 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> CA :: 52.081 CB :: 39.666 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.827 HA :: 4.757 HB2 :: 2.708 HB3 :: 2.487 HD21 :: 6.714 HD22 :: 7.492 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.993 ND2 :: 109.524 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.09 P 0.04 A 0.04 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.605 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.101 HA2 :: 3.971 HA3 :: 3.595 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.54 Ave N Shift Values>> N :: 109.67(3.87) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.23 G 0.01 HN Overlap>> 1.I117 1.I117 C Shift Assignments>> CA :: 56.284 CB :: 33.344 CG :: 25.791 CD :: 29.244 CE :: 42.329 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.748 HA :: 4.348 HB2 :: 2.253 HB3 :: 1.777 HG2 :: 1.617 HG3 :: 1.384 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 2.994 HE3 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.279 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.6 C 0.39 C Shift Assignments>> CA :: 55.282 CB :: 30.15 CD2 :: 120.378 CE1 :: 136.451 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.15 HA :: 5.146 HB2 :: 3.323 HB3 :: 3.103 HD2 :: 7.213 HE1 :: 8.518 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.118 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.53 G 0.33 C 0.12 C Shift Assignments>> CA :: 56.733 CB :: 44.116 CD1 :: 131.087 CD2 :: 131.083 CE1 :: 131.08 CE2 :: 131.082 CZ :: 128.77 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.792 HA :: 4.763 HB2 :: 1.968 HB3 :: 1.429(S) HD1 :: 6.693 HD2 :: 6.693 HE1 :: 6.735 HE2 :: 6.735 HZ :: 6.756 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.201 Ave N Shift Values>> N :: 120.45(4.18) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.34 Q 0.03 E 0.02 I 0.02 R 0.01 C Shift Assignments>> CA :: 55.764 CB :: 35.659 CG :: 25.126 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.35 HA :: 4.8 HB2 :: 1.777 HB3 :: 1.515 HG2 :: 1.269 HG3 :: 1.269 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.67 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.49 Y 0.23 C 0.18 G 0.09 C Shift Assignments>> CA :: 56.058 CB :: 43.033 CD1 :: 130.841 CD2 :: 130.841 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.504 HA :: 5.281 HB2 :: 3.055 HB3 :: 2.965 HD1 :: 7.023 HD2 :: 7.023 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.082 Ave N Shift Values>> N :: 120.45(4.18) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.29 CB :: 70.054 CG2 :: 21.862 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.31 HA :: 5.134 HB :: 4.081 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.69 Ave N Shift Values>> N :: 115.42(4.75) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> CA :: 59.87 CB :: 41.136 CG1 :: 27.397 CG2 :: 17.474 CD1 :: 13.601 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.378 HA :: 4.851 HB :: 1.829 HG12 :: 1.503 HG13 :: 1.221 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.413 Ave N Shift Values>> N :: 121.46(4.28) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.717 CB :: 69.486 CG2 :: 21.55 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.596 HA :: 4.865 HB :: 4.105 HG21 :: 1.151 HG22 :: 1.151 HG23 :: 1.151 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.481 Ave N Shift Values>> N :: 115.42(4.75) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> CA :: 50.835 CB :: 19.478 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.81 HA :: 4.661 HB1 :: 1.253 HB2 :: 1.253 HB3 :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.568 Ave N Shift Values>> N :: 123.23(3.54) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.114 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.875 HA2 :: 4.071 HA3 :: 3.665 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.014 Ave N Shift Values>> N :: 109.67(3.87) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.814 CB :: 63.637 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.734 HA :: 4.342 HB2 :: 3.991 HB3 :: 3.814 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.195 Ave N Shift Values>> N :: 116.28(3.52) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.36 R 0.07 C Shift Assignments>> CA :: 55.155 CB :: 34.287 CG :: 24.653 CD :: 28.917 CE :: 42.133 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.715 HA :: 4.513 HB2 :: 1.905 HB3 :: 1.809 HG2 :: 1.368 HG3 :: 1.368 HD2 :: 1.602 HD3 :: 1.672 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.257 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> CA :: 61.411 CB :: 33.846 CG1 :: 21.259 CG2 :: 21.194 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.377 HA :: 4.742 HB :: 1.874 HG11 :: 0.763 HG12 :: 0.763 HG13 :: 0.763 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.748 Ave N Shift Values>> N :: 121.14(4.54) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.E94 1.V109 1.V50 1.E94 1.V109 1.V50 C Shift Assignments>> CA :: 60.289 CB :: 40.719 CG1 :: 27.585 CG2 :: 17.835 CD1 :: 14.088 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.051 HA :: 4.26 HB :: 1.662 HG12 :: 0.958 HG13 :: 1.375 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.816 Ave N Shift Values>> N :: 121.46(4.28) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.27 Q 0.17 E 0.1 K 0.01 C Shift Assignments>> CA :: 54.231 CB :: 31.681 CG :: 34.556 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.751 HA :: 5.394 HB2 :: 2.022 HB3 :: 1.912 HG2 :: 2.214 HG3 :: 2.279 HE21 :: 7.502 HE22 :: 6.779 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.463 NE2 :: 109.29 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.26 R 0.13 D 0.11 C 0.04 F 0.01 C Shift Assignments>> CA :: 52.111 CB :: 43.886 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.887 HA :: 5.39 HB2 :: 2.627 HB3 :: 2.549 HD21 :: 7.249 HD22 :: 7.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.245 ND2 :: 110.346 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.36 E 0.17 Q 0.03 C Shift Assignments>> CA :: 54.991 CB :: 32.852 CG :: 35.739 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.998 HA :: 5.237 HB2 :: 2.01 HB3 :: 1.99 HG2 :: 2.261 HG3 :: 2.261 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.109 Ave N Shift Values>> N :: 120.67(3.48) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 HN Overlap>> 1.T102 1.T102 C Shift Assignments>> CA :: 56.161 CB :: 41.205 CD1 :: 132.377 CD2 :: 132.377 CE1 :: 130.039 CE2 :: 130.039 CZ :: 128.566 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.151 HA :: 5.022 HB2 :: 3.31 HB3 :: 3.046 HD1 :: 6.534 HD2 :: 6.534 HE1 :: 6.465 HE2 :: 6.465 HZ :: 6.316 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.967 Ave N Shift Values>> N :: 120.45(4.18) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 60.87 CB :: 70.411 CG2 :: 22.192 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.153 HA :: 5.282 HB :: 4.001 HG21 :: 1.278 HG22 :: 1.278 HG23 :: 1.278 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.109 Ave N Shift Values>> N :: 115.42(4.75) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 64.289 CB :: 32.092 CG1 :: 21.177 CG2 :: 23.045 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.07 HA :: 4.13 HB :: 2.291 HG11 :: 1.275 HG12 :: 1.275 HG13 :: 1.275 HG21 :: 1.08 HG22 :: 1.08 HG23 :: 1.08 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.304 Ave N Shift Values>> N :: 121.14(4.54) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.498 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.793 HA2 :: 4.329 HA3 :: 3.503 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.487 Ave N Shift Values>> N :: 109.67(3.87) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.32 E 0.23 Q 0.06 C Shift Assignments>> CA :: 54.172 CB :: 31.806 CG :: 35.739 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.782 HA :: 4.745 HB2 :: 2.153 HB3 :: 1.968 HG2 :: 2.22 HG3 :: 2.22 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.643 Ave N Shift Values>> N :: 120.67(3.48) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.4 I 0.08 M 0.04 K 0.03 Q 0.01 C Shift Assignments>> CA :: 57.886 CB :: 30.131 CG :: 36.922 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.92 HA :: 4.357 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 2.141 HG3 :: 2.219 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.944 Ave N Shift Values>> N :: 120.67(3.48) 1.C77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.16 C 0.16 R 0.15 H 0.14 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> CA :: 55.439 CB :: 32.056 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.218 HA :: 5.126 HB2 :: 3.054 HB3 :: 3.343 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.053 Ave N Shift Values>> N :: 120.17(4.64) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.29 M 0.2 C Shift Assignments>> CA :: 54.857 CB :: 31.634 CG :: 37.311 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.395 HA :: 4.992 HB2 :: 1.851 HB3 :: 1.824 HG2 :: 1.913 HG3 :: 2.065 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.994 Ave N Shift Values>> N :: 120.67(3.48) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.42 C 0.11 A 0.01 C Shift Assignments>> CA :: 52.975 CB :: 44.702 CG :: 26.434 CD1 :: 24.944 CD2 :: 23.891 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.756 HA :: 4.524 HB2 :: 1.11 HB3 :: 1.054 HG :: 1.238 HD11 :: 0.25 HD12 :: 0.25 HD13 :: 0.25 HD21 :: 0.425 HD22 :: 0.425 HD23 :: 0.425 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.099 Ave N Shift Values>> N :: 121.86(3.9) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 M 0.14 Q 0.07 K 0.05 I 0.01 C Shift Assignments>> CA :: 55.659 CB :: 30.48 CG :: 36.079 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.182 HA :: 4.68 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 2.339 HG3 :: 2.042 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.175 Ave N Shift Values>> N :: 120.67(3.48) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 60.252 CB :: 71.16 CG2 :: 21.56 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.356 HA :: 4.35 HB :: 4.456 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.291 Ave N Shift Values>> N :: 115.42(4.75) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.46 A 0.01 C Shift Assignments>> CA :: 58.082 CB :: 32.834 CG :: 32.618 CE :: 17.51 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.829 HA :: 4.112 HB2 :: 2.67 HB3 :: 2.594 HG2 :: 2.071 HG3 :: 2.071 HE1 :: 2.133 HE2 :: 2.133 HE3 :: 2.133 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 114.616 Ave N Shift Values>> N :: 120.09(3.57) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> CA :: 61.418 CB :: 68.588 CG2 :: 22.425 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.477 HA :: 4.212 HB :: 4.494 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.15 Ave N Shift Values>> N :: 115.42(4.75) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> CA :: 45.037 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.764 HA2 :: 4.303 HA3 :: 3.818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.578 Ave N Shift Values>> N :: 109.67(3.87) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.17 Q 0.05 K 0.03 I 0.01 C Shift Assignments>> CA :: 55.799 CB :: 30.742 CG :: 36.184 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.311 HA :: 4.227 HB2 :: 1.763 HB3 :: 1.743 HG2 :: 2.043 HG3 :: 2.129 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.864 Ave N Shift Values>> N :: 120.67(3.48) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.32 R 0.13 C Shift Assignments>> CA :: 54.843 CB :: 33.533 CG :: 25.34 CD :: 29.058 CE :: 42.067 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.515 HA :: 5.152 HB2 :: 1.674 HB3 :: 1.459 HG2 :: 1.419 HG3 :: 1.177 HD2 :: 1.552 HD3 :: 1.584 HE2 :: 2.93 HE3 :: 2.93 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.146 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.3 C Shift Assignments>> CA :: 59.167 CB :: 34.951 CG1 :: 21.504 CG2 :: 19.552 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.814 HA :: 4.494 HB :: 1.885 HG11 :: 0.751 HG12 :: 0.751 HG13 :: 0.751 HG21 :: 0.541 HG22 :: 0.541 HG23 :: 0.541 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.097 Ave N Shift Values>> N :: 121.14(4.54) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.1 Q 0.05 C Shift Assignments>> CA :: 55.172 CB :: 32.726 CG :: 25.139 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.376 HA :: 5.181 HB2 :: 1.718 HB3 :: 1.718 HG2 :: 1.449 HG3 :: 1.283 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.051 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.34 A 0.03 C Shift Assignments>> CA :: 59.139 CB :: 69.059 CG2 :: 19.448 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.838 HA :: 4.712 HB :: 4.144 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.88 Ave N Shift Values>> N :: 115.42(4.75) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> CA :: 61.142 CB :: 35.644 CG1 :: 20.62 CG2 :: 20.617 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.255 HA :: 4.275 HB :: 1.827 HG11 :: 0.681 HG12 :: 0.681 HG13 :: 0.681 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.23 Ave N Shift Values>> N :: 121.14(4.54) 1.V91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> CA :: 60.992 CB :: 31.983 CG1 :: 18.97 CG2 :: 22.149 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.767 HA :: 4.187 HB :: 1.279 HG11 :: -0.332(S) HG12 :: -0.332(S) HG13 :: -0.332(S) HG21 :: 0.275 HG22 :: 0.275 HG23 :: 0.275 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.397 Ave N Shift Values>> N :: 121.14(4.54) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.28 Q 0.15 K 0.04 C Shift Assignments>> CA :: 53.595 CB :: 31.35 CG :: 32.52 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.83 HA :: 4.877 HB2 :: 2.051 HB3 :: 1.694 HG2 :: 2.345 HG3 :: 2.208 HE21 :: 6.769 HE22 :: 7.33 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.075 NE2 :: 107.644 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.27 C 0.18 R 0.04 C Shift Assignments>> CA :: 53.962 CB :: 44.32 CG :: 27.422 CD1 :: 25.556 CD2 :: 24.458 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.445 HA :: 5.228 HB2 :: 1.369 HB3 :: 1.897 HG :: 1.646 HD11 :: 0.997 HD12 :: 0.997 HD13 :: 0.997 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.002 Ave N Shift Values>> N :: 121.86(3.9) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 M 0.26 Q 0.03 HN Overlap>> 1.I67 1.I67 1.V50 1.V50 C Shift Assignments>> CA :: 55.165 CB :: 31.538 CG :: 36.296 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1 HA :: 4.546 HB2 :: 1.9 HB3 :: 1.714 HG2 :: 2.115 HG3 :: 2.062 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.726 Ave N Shift Values>> N :: 120.67(3.48) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.816 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.348 HA2 :: 3.73 HA3 :: 4.099 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.739 Ave N Shift Values>> N :: 109.67(3.87) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.22 K 0.19 F 0.09 R 0.07 Y 0.06 C 0.05 N 0.03 C Shift Assignments>> CA :: 55.082 CB :: 41.916 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.452 HA :: 4.756 HB2 :: 2.791 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.108 Ave N Shift Values>> N :: 120.65(3.86) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.29 L 0.1 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> CA :: 53.348 CB :: 39.801 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.179 HA :: 4.885 HB2 :: 3.435 HB3 :: 2.649 HD21 :: 6.884 HD22 :: 7.358 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.786 ND2 :: 109.652 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.41 C Shift Assignments>> CA :: 55.305 CB :: 35.97 CG :: 25.261 CD :: 29.334 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.456 HA :: 5.516 HB2 :: 1.851 HB3 :: 1.689 HG2 :: 1.299 HG3 :: 1.061 HD2 :: 1.511 HD3 :: 1.557 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.223 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.42 C 0.11 A 0.02 C Shift Assignments>> CA :: 52.729 CB :: 44.425 CG :: 25.575 CD1 :: 25.448 CD2 :: 23.818 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.016 HA :: 5.131 HB2 :: 1.381 HB3 :: 0.739 HG :: 1.046 HD11 :: -0.143 HD12 :: -0.143 HD13 :: -0.143 HD21 :: 0.116 HD22 :: 0.116 HD23 :: 0.116 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.207 Ave N Shift Values>> N :: 121.86(3.9) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> CA :: 60.735 CB :: 35.471 CG1 :: 21.25 CG2 :: 21.18 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.283 HA :: 4.99 HB :: 1.824 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.104 Ave N Shift Values>> N :: 121.14(4.54) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.42 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> CA :: 60.915 CB :: 69.466 CG2 :: 18.335 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.837 HA :: 4.669 HB :: 3.882 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.561 Ave N Shift Values>> N :: 115.42(4.75) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 HN Overlap>> 1.F71 1.F71 C Shift Assignments>> CA :: 59.576 CB :: 71.311 CG2 :: 20.905 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1 HA :: 5.168 HB :: 3.911 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.9 Ave N Shift Values>> N :: 115.42(4.75) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> CA :: 55.342 CB :: 39.814 CD1 :: 132.614 CD2 :: 132.614 CE1 :: 130.663 CE2 :: 130.663 CZ :: 129.221 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.323 HA :: 4.747 HB2 :: 3.07 HB3 :: 2.775 HD1 :: 6.782 HD2 :: 6.782 HE1 :: 7.028 HE2 :: 7.028 HZ :: 7.099 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.422 Ave N Shift Values>> N :: 120.45(4.18) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.34 R 0.16 C Shift Assignments>> CA :: 57.792 CB :: 29.588 CG :: 25.228 CD :: 28.777 CE :: 41.727 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.244 HA :: 3.773 HB2 :: 1.959 HB3 :: 1.959 HG2 :: 1.557 HG3 :: 1.476 HD2 :: 1.689 HD3 :: 1.731 HE2 :: 2.955 HE3 :: 2.955 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.176 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.16 Y 0.09 F 0.07 E 0.07 D 0.06 M 0.04 L 0.01 C Shift Assignments>> CA :: 53.885 CB :: 37.551 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.434 HA :: 4.355 HB2 :: 2.994 HB3 :: 2.837 HD21 :: 6.718 HD22 :: 7.363 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.524 ND2 :: 109.181 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> CA :: 60.457 CB :: 39.628 CG1 :: 29.085 CG2 :: 18.188 CD1 :: 14.576 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.331 HA :: 4.515 HB :: 1.574 HG12 :: 0.824 HG13 :: 1.719 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.336 Ave N Shift Values>> N :: 121.46(4.28) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.42 C Shift Assignments>> CA :: 55.427 CB :: 34.087 CG :: 25.018 CD :: 29.356 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.115 HA :: 4.656 HB2 :: 1.784 HB3 :: 1.642 HG2 :: 1.259 HG3 :: 1.202 HD2 :: 1.524 HD3 :: 1.524 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.458 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T101 1.T101 C Shift Assignments>> CA :: 55.648 CB :: 64.33 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.894 HA :: 5.359 HB2 :: 3.328 HB3 :: 3.625 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.594 Ave N Shift Values>> N :: 116.28(3.52) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 HN Overlap>> 1.I67 1.I67 1.V50 1.V50 C Shift Assignments>> CA :: 61.135 CB :: 35.017 CG1 :: 21.454 CG2 :: 21.338 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.944 HA :: 4.864 HB :: 1.979 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.815 Ave N Shift Values>> N :: 121.14(4.54) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.163 CB :: 69.963 CG2 :: 21.269 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.33 HA :: 5.132 HB :: 3.928 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.932 Ave N Shift Values>> N :: 115.42(4.75) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.19 E 0.08 C Shift Assignments>> CA :: 54.213 CB :: 34.005 CG :: 36.545 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.122 HA :: 5.478 HB2 :: 1.716 HB3 :: 1.943 HG2 :: 1.945 HG3 :: 2.084 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.217 Ave N Shift Values>> N :: 120.67(3.48) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.16 L 0.13 A 0.07 R 0.01 C Shift Assignments>> CA :: 53.674 CB :: 45.17 CG :: 26.885 CD1 :: 22.86 CD2 :: 26.88 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.431 HA :: 4.798 HB2 :: 1.13 HB3 :: 0.579 HG :: 1.087 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 HD21 :: 0.277 HD22 :: 0.277 HD23 :: 0.277 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.763 Ave N Shift Values>> N :: 121.86(3.9) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.34 L 0.12 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> CA :: 52.447 CB :: 40.377 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.886 HA :: 4.849 HB2 :: 2.681 HB3 :: 2.557 HD21 :: 7.027 HD22 :: 7.478 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.515 ND2 :: 110.044 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 P 0.15 C 0.1 A 0.08 L 0.02 N 0.02 C Shift Assignments>> CA :: 47.91 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.836 HA2 :: 3.986 HA3 :: 3.541 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.706 Ave N Shift Values>> N :: 109.67(3.87) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.07 C 0.04 Y 0.04 R 0.04 C Shift Assignments>> CA :: 53.788 CB :: 41.671 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.762 HA :: 4.753 HB2 :: 2.928 HB3 :: 2.745 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.266 Ave N Shift Values>> N :: 120.65(3.86) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 A 0.01 C Shift Assignments>> CA :: 58.547 CB :: 39.518 CG1 :: 26.933 CG2 :: 18.041 CD1 :: 11.075 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.873 HA :: 5.076 HB :: 2.067 HG12 :: 1.363 HG13 :: 1.548 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.93 Ave N Shift Values>> N :: 121.46(4.28) 1.I117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.48 A 0.01 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> CA :: 58.233 CB :: 40.9 CG1 :: 27.637 CG2 :: 17.415 CD1 :: 12.954 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.758 HA :: 5.125 HB :: 1.11 HG12 :: 0.5 HG13 :: 0.96 HG21 :: 0.394 HG22 :: 0.394 HG23 :: 0.394 HD11 :: 0.193 HD12 :: 0.193 HD13 :: 0.193 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.219 Ave N Shift Values>> N :: 121.46(4.28) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 60.854 CB :: 69.981 CG2 :: 21.081 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.981 HA :: 5.037 HB :: 3.967 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.475 Ave N Shift Values>> N :: 115.42(4.75) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 N 0.1 K 0.07 R 0.07 C 0.05 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> CA :: 51.428 CB :: 42.227 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.252 HA :: 5.757 HB2 :: 2.548 HB3 :: 2.408 HD21 :: 6.159 HD22 :: 7.008 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.133 ND2 :: 107.267 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> CA :: 61.252 CB :: 69.726 CG2 :: 22.069 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.224 HA :: 4.907 HB :: 3.826 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.881 Ave N Shift Values>> N :: 115.42(4.75) 1.M121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 C 0.26 M 0.18 I 0.02 C Shift Assignments>> CA :: 54.278 CB :: 36.698 CE :: 18.15 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.232 HA :: 5.494 HB2 :: 1.73 HB3 :: 1.543 HG2 :: 1.825 HG3 :: 1.825 HE1 :: 2.068 HE2 :: 2.068 HE3 :: 2.068 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.631 Ave N Shift Values>> N :: 120.09(3.57) 1.T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 61.212 CB :: 70.641 CG2 :: 21.693 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.797 HA :: 5.338 HB :: 3.934 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.336 Ave N Shift Values>> N :: 115.42(4.75) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.27 C 0.19 R 0.04 A 0.02 C Shift Assignments>> CA :: 53.825 CB :: 44.842 CG :: 27.733 CD1 :: 23.788 CD2 :: 26.031 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.802 HA :: 4.695 HB2 :: 1.304 HB3 :: 1.698 HG :: 1.378 HD11 :: 0.651 HD12 :: 0.651 HD13 :: 0.651 HD21 :: 0.511 HD22 :: 0.511 HD23 :: 0.511 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.114 Ave N Shift Values>> N :: 121.86(3.9) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> CA :: 47.464 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.132 HA2 :: 3.582 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.974 Ave N Shift Values>> N :: 109.67(3.87) 1.D125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.17 F 0.09 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> CA :: 53.853 CB :: 40.775 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.59 HA :: 4.572 HB2 :: 2.659 HB3 :: 2.708 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.52 Ave N Shift Values>> N :: 120.65(3.86) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.734 CB :: 38.89 CG1 :: 27.2 CG2 :: 17.837 CD1 :: 14.019 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.363 HA :: 3.986 HB :: 2.233 HG12 :: 1.006 HG13 :: 1.687 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.88 Ave N Shift Values>> N :: 121.46(4.28) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> CA :: 61.307 CB :: 32.346 CG1 :: 21.52 CG2 :: 20.433 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.296 HA :: 4.557 HB :: 1.962 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.662 Ave N Shift Values>> N :: 121.14(4.54) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.83 C 0.16 C Shift Assignments>> CA :: 53.906 CB :: 40.611 CD1 :: 131.722 CD2 :: 131.72 CE1 :: 130.461 CE2 :: 130.461 CZ :: 128.918 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.248 HA :: 5.474 HB2 :: 2.361 HB3 :: 2.729 HD1 :: 6.781 HD2 :: 6.781 HE1 :: 7.041 HE2 :: 7.041 HZ :: 7.188 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 128.542 Ave N Shift Values>> N :: 120.45(4.18) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.12 L 0.07 I 0.03 E 0.02 C Shift Assignments>> CA :: 54.378 CB :: 37.056 CG :: 25.157 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.088 HA :: 5.12 HB2 :: 1.543 HB3 :: 1.426 HG2 :: 1.243 HG3 :: 1.131 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.535 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.2 G 0.19 K 0.06 C Shift Assignments>> CA :: 55.401 CB :: 34.615 CG :: 27.531 CD :: 43.746 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.683 HA :: 4.806 HB2 :: 1.644 HB3 :: 1.598 HG2 :: 1.173 HG3 :: 1.635 HD2 :: 3.131 HD3 :: 3.044 HE :: 7.085 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.642 NE :: 82.271 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> CA :: 61.198 CB :: 39.968 CG1 :: 28.068 CG2 :: 18.029 CD1 :: 13.744 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.77 HA :: 4.756 HB :: 1.833 HG12 :: 1.066 HG13 :: 1.344 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.479 Ave N Shift Values>> N :: 121.46(4.28) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.T120 1.T120 C Shift Assignments>> CA :: 57.498 CB :: 65.366 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.245 HA :: 5.419 HB2 :: 3.51 HB3 :: 3.421 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.962 Ave N Shift Values>> N :: 116.28(3.52) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.14 L 0.12 C Shift Assignments>> CA :: 54.519 CB :: 37.051 CG :: 24.885 CD :: 27.644 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.649 HA :: 5.465 HB2 :: 1.551 HB3 :: 1.809 HG2 :: 1.362 HG3 :: 1.589 HD2 :: 1.621 HD3 :: 1.621 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.07 K 0.06 C Shift Assignments>> CA :: 57.434 CB :: 31.507 CG :: 26.66 CD :: 43.473 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.119 HA :: 4.117 HB2 :: 1.699 HB3 :: 1.607 HG2 :: 1.542 HG3 :: 1.186 HD2 :: 3.273 HD3 :: 3.036 HE :: 7.308 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.057 NE :: 79.868 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> CA :: 62.76 CB :: 40.199 CG1 :: 27.264 CG2 :: 18.566 CD1 :: 14.344 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.384 HA :: 4.114 HB :: 1.786 HG12 :: 0.859 HG13 :: 1.287 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 HD11 :: 0.785 HD12 :: 0.785 HD13 :: 0.785 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.453 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 131 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 129 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 0 C Shift Results: #Consistent: 446 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 929 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 142 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.I30 N = 107.27(S), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1505e-04 1.Q51 HG3 = 0.845(S), Expected = 2.29, Std = 0.2900, ChiSquare = 6.2684e-07 1.Q51 NE2 = 104.455(S), Expected = 111.87, Std = 1.7200, ChiSquare = 1.6248e-05 1.F56 HB3 = 1.429(S), Expected = 2.93, Std = 0.4000, ChiSquare = 1.7508e-04 1.V91 HG11 = -0.332(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8501e-06 1.V91 HG12 = -0.332(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8501e-06 1.V91 HG13 = -0.332(S), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8501e-06