G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.41 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.55 HA3 :: 3.55 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) L2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 175.45 CA :: 63.52 CB :: 31.63 CG :: 27.16 CD :: 50.50 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 :: 4.41 HB2 :: 1.93 HB3 :: 2.19 HG2 :: 1.96 HG3 :: 1.96 HD2 :: 3.59 HD3 :: 3.78 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) F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.18 I 0.12 L 0.05 K 0.05 D 0.03 C Shift Assignments>> CA :: 58.72 CB :: 40.16 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 :: 8.26 HA :: 4.51 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 :: 119.76 Ave N Shift Values>> N :: 120.69(4.18) G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.55 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.26 HA2 :: 3.83 HA3 :: 3.93 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.16 Ave N Shift Values>> N :: 109.91(4.29) L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 R 0.06 G 0.03 C Shift Assignments>> C :: 176.34 CA :: 55.03 CB :: 42.59 CG :: 26.99 CD1 :: 24.18 CD2 :: 24.59 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 :: 8.10 HA :: 4.36 HB2 :: 1.58 HB3 :: 1.58 HG :: 1.58 HD1 :: 0.87 HD2 :: 0.93 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 :: 121.24 Ave N Shift Values>> N :: 121.98(4.07) M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.39 A 0.14 C Shift Assignments>> C :: 176.18 CA :: 55.61 CB :: 32.78 CG :: 32.33 CE :: 17.22 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 :: 7.97 HA :: 4.43 HB2 :: 1.86 HB3 :: 1.98 HG2 :: 2.47 HG3 :: 2.54 HE :: 1.99 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 :: 121.72 Ave N Shift Values>> N :: 120.1(3.88) R8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.38 C 0.36 G 0.15 K 0.09 C Shift Assignments>> C :: 174.55 CA :: 55.74 CB :: 31.44 CG :: 28.10 CD :: 43.96 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 :: 8.33 HA :: 4.32 HB2 :: 0.56(S) HB3 :: 1.42 HG2 :: 1.47 HG3 :: 1.47 HD2 :: 2.96 HD3 :: 2.96 HE :: 7.29 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.20 NE :: 87.08 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.23 G 0.16 K 0.13 C Shift Assignments>> C :: 175.40 CA :: 54.80 CB :: 33.71 CG :: 27.66 CD :: 43.77 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 :: 8.16 HA :: 5.63 HB2 :: 1.78 HB3 :: 1.74 HG2 :: 1.45 HG3 :: 1.60 HD2 :: 3.15 HD3 :: 3.15 HE :: 7.43 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 :: 120.96 NE :: 84.78 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 M 0.12 E 0.03 C Shift Assignments>> C :: 173.90 CA :: 54.24 CB :: 34.93 CG :: 35.92 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 :: 8.90 HA :: 4.88 HB2 :: 1.60 HB3 :: 2.17 HG2 :: 2.66 HG3 :: 2.50 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 :: 122.77 Ave N Shift Values>> N :: 120.68(3.68) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.31 L 0.17 C Shift Assignments>> C :: 176.03 CA :: 54.74 CB :: 46.80 CG :: 27.86 CD1 :: 26.31 CD2 :: 25.19 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 :: 8.66 HA :: 5.66 HB2 :: 1.54 HB3 :: 1.54 HG :: 1.53 HD1 :: 0.66 HD2 :: 0.62 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 :: 124.18 Ave N Shift Values>> N :: 121.98(4.07) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.2 A 0.12 K 0.08 M 0.07 P 0.01 R 0.01 C Shift Assignments>> C :: 175.55 CA :: 51.21 CB :: 23.43 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.27 HA :: 4.80 HB :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.06 Ave N Shift Values>> N :: 123.23(3.7) C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.22 Y 0.1 D 0.08 F 0.06 E 0.06 M 0.02 L 0.01 C Shift Assignments>> C :: 173.62 CA :: 53.75 CB :: 37.68 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.03 HA :: 4.83 HB2 :: 2.63 HB3 :: 3.66 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 :: 121.14 Ave N Shift Values>> N :: 119.95(4.79) E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 K 0.16 Q 0.15 I 0.06 M 0.03 R 0.01 C Shift Assignments>> C :: 177.46 CA :: 58.58 CB :: 29.24 CG :: 35.10 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 :: 8.27 HA :: 4.11 HB2 :: 1.70 HB3 :: 1.70 HG2 :: 2.15 HG3 :: 2.46 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 :: 120.83 Ave N Shift Values>> N :: 120.68(3.68) G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.86 CA :: 44.34 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.36 HA2 :: 3.61 HA3 :: 4.35 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.32 Ave N Shift Values>> N :: 109.91(4.29) Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> CA :: 56.55 CB :: 38.45 CD1 :: 133.40 CD2 :: 133.40 CE1 :: 118.10 CE2 :: 118.10 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 :: 8.62 HA :: 4.87 HB2 :: 3.36 HB3 :: 3.16 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 6.91 HE2 :: 6.91 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 :: 120.68 Ave N Shift Values>> N :: 120.79(4.69) P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.15 CA :: 61.86 CB :: 32.02 CG :: 27.11 CD :: 50.60 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 :: 4.95 HB2 :: 1.96 HB3 :: 1.75 HG2 :: 2.08 HG3 :: 2.26 HD2 :: 4.02 HD3 :: 3.91 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) I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.29 G 0.01 C Shift Assignments>> C :: 171.94 CA :: 59.73 CB :: 41.89 CG1 :: 30.97 CG2 :: 16.67 CD1 :: 15.17 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.20 HA :: 4.55 HB :: 1.54 HG2 :: 0.90 HG12 :: 1.57 HG13 :: 1.03 HD1 :: 0.73 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 :: 125.73 Ave N Shift Values>> N :: 121.6(4.72) E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.27 M 0.22 K 0.01 Q 0.01 C Shift Assignments>> C :: 174.79 CA :: 54.54 CB :: 31.94 CG :: 36.75 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 :: 8.47 HA :: 5.14 HB2 :: 1.82 HB3 :: 1.90 HG2 :: 1.86 HG3 :: 2.06 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 :: 125.50 Ave N Shift Values>> N :: 120.68(3.68) L20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.3 R 0.09 A 0.01 K 0.01 C Shift Assignments>> C :: 175.69 CA :: 53.86 CB :: 41.32 CG :: 28.29 CD1 :: 25.60 CD2 :: 23.95 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 :: 8.58 HA :: 4.36 HB2 :: 1.52 HB3 :: 0.31(S) HG :: 1.21 HD1 :: 0.43 HD2 :: 0.29 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 :: 126.21 Ave N Shift Values>> N :: 121.98(4.07) R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.21 K 0.17 G 0.11 C Shift Assignments>> C :: 174.70 CA :: 56.03 CB :: 34.03 CG :: 27.54 CD :: 43.57 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 :: 8.05 HA :: 5.09 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 1.52 HG3 :: 1.52 HD2 :: 3.12 HD3 :: 3.16 HE :: 7.19 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 :: 119.07 NE :: 84.45 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.14 C 0.12 K 0.05 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.12 CB :: 41.04 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.70 HA :: 5.40 HB2 :: 2.67 HB3 :: 2.74 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 :: 122.91 Ave N Shift Values>> N :: 119.95(4.79) P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.67 CA :: 62.05 CB :: 32.48 CG :: 27.11 CD :: 50.54 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 :: 4.57 HB2 :: 2.22 HB3 :: 1.98 HG2 :: 2.02 HG3 :: 2.14 HD2 :: 3.72 HD3 :: 3.83 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) G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 174.75 CA :: 47.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.29 HA2 :: 3.70 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.21 Ave N Shift Values>> N :: 109.91(4.29) S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.15 CA :: 57.21 CB :: 64.03 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.77 HA :: 4.55 HB2 :: 4.05 HB3 :: 3.79 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.59 Ave N Shift Values>> N :: 116.3(3.95) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.21 K 0.17 C 0.1 F 0.08 R 0.07 Y 0.06 N 0.04 C Shift Assignments>> C :: 174.59 CA :: 54.88 CB :: 41.63 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 :: 7.97 HA :: 4.68 HB2 :: 2.75 HB3 :: 2.37 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 :: 124.17 Ave N Shift Values>> N :: 120.73(4.2) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 I 0.06 V 0.05 A 0.03 C Shift Assignments>> C :: 175.32 CA :: 58.51 CB :: 36.60 CG1 :: 21.80 CG2 :: 18.14 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 :: 9.10 HA :: 4.65 HB :: 1.65 HG1 :: 0.66 HG2 :: 0.87 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 :: 107.83 Ave N Shift Values>> N :: 121.02(4.96) I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.41 V 0.02 C Shift Assignments>> C :: 177.51 CA :: 62.52 CB :: 39.72 CG1 :: 30.67 CG2 :: 18.68 CD1 :: 16.45 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.50 HA :: 4.22 HB :: 1.99 HG2 :: 0.60 HG12 :: 0.72 HG13 :: 1.78 HD1 :: 0.45 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 :: 121.58 Ave N Shift Values>> N :: 121.6(4.72) M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.31 A 0.25 C Shift Assignments>> C :: 176.02 CA :: 54.33 CB :: 34.40 CG :: 32.34 CE :: 17.09 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 :: 8.73 HA :: 4.75 HB2 :: 2.01 HB3 :: 1.81 HG2 :: 2.47 HG3 :: 2.47 HE :: 2.11 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 :: 125.77 Ave N Shift Values>> N :: 120.1(3.88) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 175.44 CA :: 65.91 CB :: 31.45 CG1 :: 21.99 CG2 :: 22.47 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 :: 9.68 HA :: 3.71 HB :: 2.09 HG1 :: 0.93 HG2 :: 0.69 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 :: 129.74 Ave N Shift Values>> N :: 121.02(4.96) E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.26 M 0.25 Q 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 175.95 CA :: 57.43 CB :: 31.99 CG :: 35.32 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 :: 9.42 HA :: 4.77 HB2 :: 1.80 HB3 :: 1.98 HG2 :: 2.29 HG3 :: 2.29 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 :: 128.98 Ave N Shift Values>> N :: 120.68(3.68) N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.48 N 0.3 C 0.19 C Shift Assignments>> C :: 173.40 CA :: 53.18 CB :: 41.74 CG :: 176.56 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 :: 8.22 HA :: 4.71 HB2 :: 2.75 HB3 :: 2.75 HD21 :: 6.75 HD22 :: 7.57 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 :: 113.67 ND2 :: 113.29 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.15 A 0.11 M 0.1 K 0.09 R 0.01 C Shift Assignments>> C :: 174.72 CA :: 52.24 CB :: 23.18 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.80 HA :: 5.43 HB :: 1.32 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.03 Ave N Shift Values>> N :: 123.23(3.7) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 C 0.24 N 0.15 G 0.07 C Shift Assignments>> C :: 172.62 CA :: 53.44 CB :: 42.75 CG :: 176.92 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 :: 8.79 HA :: 4.96 HB2 :: 2.78 HB3 :: 2.65 HD21 :: 6.32 HD22 :: 8.05 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 :: 114.84 ND2 :: 114.93 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 C Shift Assignments>> C :: 172.14 CA :: 55.66 CB :: 41.29 CD1 :: 132.23 CD2 :: 132.23 CE1 :: 116.90 CE2 :: 116.90 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 :: 7.20 HA :: 5.23 HB2 :: 2.20 HB3 :: 2.52 HD1 :: 6.55 HD2 :: 6.55 HE1 :: 6.34 HE2 :: 6.34 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 :: 124.86 Ave N Shift Values>> N :: 120.79(4.69) G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 170.66 CA :: 46.21 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.42 HA2 :: 2.71 HA3 :: 3.84 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.36 Ave N Shift Values>> N :: 109.91(4.29) R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.24 R 0.21 G 0.04 C Shift Assignments>> C :: 173.45 CA :: 58.85 CB :: 31.35 CG :: 30.37 CD :: 42.85 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 :: 8.44 HA :: 3.69 HB2 :: 1.96 HB3 :: 1.64 HG2 :: 1.91 HG3 :: 1.52 HD2 :: 2.92 HD3 :: 3.48 HE :: 7.39 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 :: 123.44 NE :: 80.61 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.92 CA :: 60.15 CB :: 69.43 CG2 :: 21.89 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 :: 7.70 HA :: 4.88 HB :: 4.57 HG2 :: 0.66 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 :: 113.96 Ave N Shift Values>> N :: 115.7(5.05) D39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.18 L 0.11 C Shift Assignments>> C :: 175.26 CA :: 54.10 CB :: 46.44(S) 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 :: 7.52 HA :: 4.92 HB2 :: 2.58 HB3 :: 2.69 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.91 Ave N Shift Values>> N :: 120.73(4.2) D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.18 C 0.13 L 0.12 F 0.1 Y 0.09 K 0.04 C Shift Assignments>> C :: 175.52 CA :: 54.28 CB :: 40.20 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 :: 8.72 HA :: 4.66 HB2 :: 3.09 HB3 :: 2.59 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 :: 123.95 Ave N Shift Values>> N :: 120.73(4.2) K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.01 C Shift Assignments>> C :: 176.95 CA :: 55.88 CB :: 33.80 CG :: 24.27 CD :: 28.34 CE :: 42.05 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 :: 8.77 HA :: 4.52 HB2 :: 1.82 HB3 :: 1.82 HG2 :: 1.42 HG3 :: 1.48 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 3.00 HE3 :: 3.00 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 :: 116.90 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.41 CA :: 60.52 CB :: 40.31 CG1 :: 27.83 CG2 :: 17.86 CD1 :: 12.73 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 :: 7.02 HA :: 3.86 HB :: 1.18 HG2 :: 0.10 HG12 :: 0.84 HG13 :: 1.23 HD1 :: 0.48 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.36 Ave N Shift Values>> N :: 121.6(4.72) C43 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 I 0.1 F 0.1 M 0.03 K 0.02 C Shift Assignments>> C :: 172.85 CA :: 58.19 CB :: 37.01 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.02 HA :: 4.20 HB2 :: 3.10 HB3 :: 3.10 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 :: 119.68 Ave N Shift Values>> N :: 119.95(4.79) D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.15 D 0.11 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 174.99 CA :: 56.14 CB :: 42.20 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 :: 7.92 HA :: 4.27 HB2 :: 2.49 HB3 :: 2.49 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 :: 119.22 Ave N Shift Values>> N :: 120.73(4.2) A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.12 L 0.07 C 0.06 C Shift Assignments>> C :: 175.40 CA :: 51.07 CB :: 21.12 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.22 HA :: 4.22 HB :: 1.14 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.52 Ave N Shift Values>> N :: 123.23(3.7) D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.19 N 0.12 C 0.1 K 0.1 F 0.06 Y 0.05 R 0.03 C Shift Assignments>> CA :: 53.47 CB :: 41.31 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 :: 7.87 HA :: 4.69 HB2 :: 2.51 HB3 :: 2.51 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 :: 120.36 Ave N Shift Values>> N :: 120.73(4.2) P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 179.97 CA :: 66.30 CB :: 31.89 CG :: 27.62 CD :: 50.49 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 :: 4.08 HB2 :: 1.82 HB3 :: 2.35 HG2 :: 2.04 HG3 :: 2.04 HD2 :: 3.75 HD3 :: 3.84 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) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.33 C 0.28 C Shift Assignments>> C :: 177.63 CA :: 59.73 CB :: 37.82 CD1 :: 131.90 CD2 :: 131.90 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 :: 8.28 HA :: 4.55 HB2 :: 3.23 HB3 :: 3.23 HD1 :: 7.41 HD2 :: 7.41 HE1 :: 7.42 HE2 :: 7.42 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.00 Ave N Shift Values>> N :: 120.69(4.18) Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.34 E 0.28 HN Overlap>> N69 C Shift Assignments>> C :: 175.97 CA :: 56.49 CB :: 30.02 CG :: 34.68 CD :: 180.02 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 :: 8.07 HA :: 4.73 HB2 :: 2.23 HB3 :: 2.46 HG2 :: 2.37 HG3 :: 2.06 HE21 :: 6.71 HE22 :: 7.48 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 :: 117.69 NE2 :: 111.13 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.38 A 0.19 I 0.01 C Shift Assignments>> C :: 173.88 CA :: 55.21 CB :: 35.48 CG :: 31.38 CE :: 17.22 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 :: 7.51 HA :: 4.51 HB2 :: 1.85 HB3 :: 2.45 HG2 :: 2.12 HG3 :: 2.50 HE :: 2.02 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.38 Ave N Shift Values>> N :: 120.1(3.88) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.37 M 0.1 I 0.08 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.14 CA :: 58.35 CB :: 31.02 CG :: 36.51 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 :: 6.98 HA :: 4.06 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 2.26 HG3 :: 2.45 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 :: 116.42 Ave N Shift Values>> N :: 120.68(3.68) N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 C 0.24 D 0.17 C Shift Assignments>> C :: 173.28 CA :: 52.57 CB :: 37.66 CG :: 177.75 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 :: 7.86 HA :: 4.48 HB2 :: 2.53 HB3 :: 3.28 HD21 :: 6.82 HD22 :: 7.09 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.54 ND2 :: 107.90 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.25 C Shift Assignments>> C :: 175.71 CA :: 59.87 CB :: 29.82 CG1 :: 21.41 CG2 :: 18.39 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 :: 7.42 HA :: 4.18 HB :: 2.22 HG1 :: 0.70 HG2 :: 0.81 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 :: 113.52 Ave N Shift Values>> N :: 121.02(4.96) Q54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.36 E 0.15 C Shift Assignments>> C :: 173.99 CA :: 53.27 CB :: 28.86 CG :: 33.63 CD :: 181.32(M) 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 :: 8.11 HA :: 4.52 HB2 :: 2.33 HB3 :: 1.87 HG2 :: 2.32 HG3 :: 2.32 HE21 :: 6.84 HE22 :: 7.51 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 :: 121.64 NE2 :: 111.86 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.17 C 0.1 R 0.09 F 0.07 Y 0.05 N 0.04 C Shift Assignments>> C :: 172.43 CA :: 54.72 CB :: 41.85 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.46 HA :: 4.85 HB2 :: 2.51 HB3 :: 3.35 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 :: 121.80 Ave N Shift Values>> N :: 119.95(4.79) Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.39 G 0.01 C Shift Assignments>> C :: 173.82 CA :: 56.55 CB :: 42.08 CD1 :: 133.43 CD2 :: 133.43 CE1 :: 117.88 CE2 :: 117.88 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 :: 8.72 HA :: 4.87 HB2 :: 2.79 HB3 :: 2.90 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.70 HE2 :: 6.70 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.84 Ave N Shift Values>> N :: 120.79(4.69) L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.19 R 0.08 L 0.03 A 0.01 C Shift Assignments>> CA :: 51.69 CB :: 44.61 CG :: 28.57 CD1 :: 24.29 CD2 :: 28.38 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 :: 8.47 HA :: 5.14 HB2 :: 1.61 HB3 :: 2.52 HG :: 1.52 HD1 :: 1.17 HD2 :: 1.28 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 :: 121.31 Ave N Shift Values>> N :: 121.98(4.07) P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 178.76 CA :: 65.56 CB :: 31.93 CG :: 27.61 CD :: 51.08 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 :: 4.67 HB2 :: 2.56 HB3 :: 2.14 HG2 :: 2.27 HG3 :: 2.11 HD2 :: 4.09 HD3 :: 3.85 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) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.14 L 0.14 C 0.14 Y 0.13 K 0.08 N 0.08 I 0.01 R 0.01 C Shift Assignments>> C :: 176.54 CA :: 55.53 CB :: 40.46 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 :: 8.40 HA :: 4.84 HB2 :: 2.45 HB3 :: 2.92 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 :: 113.55 Ave N Shift Values>> N :: 120.73(4.2) A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.17 I 0.1 C 0.04 V 0.02 C Shift Assignments>> C :: 178.57 CA :: 56.49 CB :: 18.34 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.49 HA :: 4.09 HB :: 1.55 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.89 Ave N Shift Values>> N :: 123.23(3.7) F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.29 C 0.23 C Shift Assignments>> C :: 177.73 CA :: 61.75 CB :: 38.77 CD1 :: 130.85 CD2 :: 130.85 CE1 :: 131.55 CE2 :: 131.55 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 :: 8.52 HA :: 4.12 HB2 :: 3.61 HB3 :: 3.34 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 7.20 HE2 :: 7.20 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 :: 117.16 Ave N Shift Values>> N :: 120.69(4.18) K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.15 M 0.02 G 0.01 C Shift Assignments>> C :: 178.46 CA :: 59.75 CB :: 32.18 CG :: 24.89 CD :: 29.52 CE :: 42.05 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 :: 7.97 HA :: 3.79 HB2 :: 1.95 HB3 :: 2.04 HG2 :: 1.56 HG3 :: 1.43 HD2 :: 1.72 HD3 :: 1.72 HE2 :: 3.00 HE3 :: 3.00 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 :: 124.87 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.60 CA :: 65.42 CB :: 39.26 CG1 :: 29.40 CG2 :: 16.45 CD1 :: 14.30 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.27 HA :: 3.59 HB :: 1.59 HG2 :: 0.38 HG12 :: 0.93 HG13 :: 1.71 HD1 :: 0.77 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 :: 120.26 Ave N Shift Values>> N :: 121.6(4.72) M64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.36 A 0.11 HN Overlap>> S80 C Shift Assignments>> C :: 178.81 CA :: 55.34 CB :: 29.20 CG :: 31.86 CE :: 16.04 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 :: 8.28 HA :: 4.47 HB2 :: 2.01 HB3 :: 1.74 HG2 :: 2.49 HG3 :: 2.76 HE :: 1.85 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 :: 114.61 Ave N Shift Values>> N :: 120.1(3.88) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.71 CA :: 62.36 CB :: 62.68 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.12 HA :: 3.82 HB2 :: 3.73 HB3 :: 3.50 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 :: 117.30 Ave N Shift Values>> N :: 116.3(3.95) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 Q 0.38 E 0.18 C Shift Assignments>> C :: 178.88 CA :: 58.83 CB :: 28.24 CG :: 34.06 CD :: 180.13 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 :: 8.02 HA :: 3.89 HB2 :: 2.14 HB3 :: 2.05 HG2 :: 2.34 HG3 :: 2.48 HE21 :: 6.77 HE22 :: 7.36 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 :: 120.65 NE2 :: 110.98 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.28 G 0.02 C Shift Assignments>> C :: 177.89 CA :: 58.27 CB :: 31.40 CG :: 28.34 CD :: 42.67 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 :: 7.79 HA :: 4.09 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.67 HG3 :: 1.60 HD2 :: 2.95 HD3 :: 3.04 HE :: 8.05 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 :: 115.46 NE :: 92.26 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.23 R 0.15 C 0.14 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.42 CA :: 55.89 CB :: 44.77 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.75 HA :: 4.78 HB2 :: 2.86 HB3 :: 2.86 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 :: 111.38 Ave N Shift Values>> N :: 119.95(4.79) N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.41 D 0.05 HN Overlap>> Q49 D85 C Shift Assignments>> C :: 178.50 CA :: 53.99 CB :: 36.93 CG :: 175.81 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 :: 8.14 HA :: 4.65 HB2 :: 3.02 HB3 :: 2.63 HD21 :: 7.33 HD22 :: 8.09 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.62 ND2 :: 108.41 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N70 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> N 0.52 C 0.35 D 0.11 C Shift Assignments>> C :: 173.58 CA :: 54.29 CB :: 38.12 CG :: 175.52 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 :: 9.13 HA :: 4.19 HB2 :: 3.23 HB3 :: 2.95 HD22 :: 8.44 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 111.05 ND2 :: 130.61(M) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.28 G 0.21 K 0.08 C Shift Assignments>> C :: 176.24 CA :: 54.45 CB :: 33.08 CG :: 27.68 CD :: 43.99 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 :: 7.57 HA :: 4.79 HB2 :: 1.76 HB3 :: 2.07 HG2 :: 1.53 HG3 :: 1.62 HD2 :: 3.25 HD3 :: 3.25 HE :: 7.08 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 :: 116.65 NE :: 86.10 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.04 CA :: 65.24 CB :: 70.01 CG2 :: 22.62 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 :: 8.74 HA :: 4.38 HB :: 4.11 HG2 :: 1.32 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.16 Ave N Shift Values>> N :: 115.7(5.05) Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Q 0.4 E 0.06 C Shift Assignments>> C :: 174.24 CA :: 54.06 CB :: 31.38 CG :: 32.68 CD :: 180.07 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 :: 7.29 HA :: 5.22 HB2 :: 1.96 HB3 :: 2.05 HG2 :: 2.28 HG3 :: 2.28 HE21 :: 6.61 HE22 :: 7.59 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 :: 115.13 NE2 :: 110.90 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.15 L 0.14 R 0.02 C Shift Assignments>> C :: 170.92 CA :: 54.88 CB :: 45.82 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.77 HA :: 4.68 HB2 :: 2.97 HB3 :: 2.97 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 :: 119.55 Ave N Shift Values>> N :: 119.95(4.79) V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.85 CA :: 60.95 CB :: 34.53 CG1 :: 20.67 CG2 :: 21.19 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 :: 8.46 HA :: 5.28 HB :: 1.83 HG1 :: 0.83 HG2 :: 0.89 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 :: 125.28 Ave N Shift Values>> N :: 121.02(4.96) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.34 I 0.01 C Shift Assignments>> C :: 174.22 CA :: 60.81 CB :: 36.60 CG1 :: 20.70 CG2 :: 21.47 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 :: 8.23 HA :: 4.20 HB :: 1.65 HG1 :: 0.79 HG2 :: 0.78 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 :: 126.66 Ave N Shift Values>> N :: 121.02(4.96) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.89 CA :: 63.38 CB :: 31.45 CG1 :: 20.59 CG2 :: 22.18 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 :: 8.73 HA :: 3.88 HB :: 1.89 HG1 :: 0.55 HG2 :: 0.82 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 :: 127.31 Ave N Shift Values>> N :: 121.02(4.96) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 175.56 CA :: 51.76 CB :: 18.94 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.32 HA :: 4.01 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.05 Ave N Shift Values>> N :: 123.23(3.7) G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.20 CA :: 45.87 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.93 HA2 :: 4.15 HA3 :: 4.32 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.94 Ave N Shift Values>> N :: 109.91(4.29) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> M64 C Shift Assignments>> C :: 174.71 CA :: 59.58 CB :: 63.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.30 HA :: 4.75 HB2 :: 4.02 HB3 :: 4.09 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 :: 114.58 Ave N Shift Values>> N :: 116.3(3.95) D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.16 D 0.15 L 0.12 K 0.07 N 0.04 I 0.03 C Shift Assignments>> C :: 176.44 CA :: 56.51 CB :: 40.27 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 :: 8.37 HA :: 4.39 HB2 :: 2.59 HB3 :: 2.59 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 :: 119.51 Ave N Shift Values>> N :: 120.73(4.2) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.2 C 0.04 L 0.03 C Shift Assignments>> C :: 176.27 CA :: 52.64 CB :: 20.27 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.58 HA :: 4.10 HB :: 0.80 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.67 Ave N Shift Values>> N :: 123.23(3.7) F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 G 0.01 C Shift Assignments>> CA :: 54.45 CB :: 41.80 CD1 :: 132.11 CD2 :: 132.11 CE1 :: 129.77 CE2 :: 129.77 CZ :: 129.69 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 :: 7.84 HA :: 4.79 HB2 :: 2.23 HB3 :: 2.68 HD1 :: 6.88 HD2 :: 6.88 HE1 :: 6.95 HE2 :: 6.95 HZ :: 7.14 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 :: 114.62 Ave N Shift Values>> N :: 120.69(4.18) P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 173.98 CA :: 62.23 CB :: 31.99 CG :: 27.29 CD :: 50.53 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 :: 4.51 HB2 :: 2.31 HB3 :: 1.83 HG2 :: 2.02 HG3 :: 2.10 HD2 :: 3.58 HD3 :: 3.82 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) D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 C 0.14 N 0.12 K 0.06 R 0.05 G 0.03 F 0.03 Y 0.02 HN Overlap>> N69 C Shift Assignments>> CA :: 51.18 CB :: 42.06 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 :: 8.09 HA :: 5.01 HB2 :: 2.63 HB3 :: 2.98 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 :: 117.52 Ave N Shift Values>> N :: 120.73(4.2) P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.03 CA :: 63.08 CB :: 33.29 CG :: 26.46 CD :: 50.80 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 :: 4.63 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 1.79 HG3 :: 2.13 HD2 :: 3.86 HD3 :: 4.47 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) C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.43 L 0.07 C Shift Assignments>> CA :: 54.70 CB :: 47.59 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.56 HA :: 4.82 HB2 :: 3.49 HB3 :: 2.99 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 :: 113.76 Ave N Shift Values>> N :: 119.95(4.79) P88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 174.20 CA :: 63.83 CB :: 31.64 CG :: 27.74 CD :: 49.99 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 :: 4.72 HB2 :: 1.80 HB3 :: 2.26 HG2 :: 1.80 HG3 :: 2.09 HD2 :: 3.50 HD3 :: 3.36 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) G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.12 C 0.08 R 0.06 C Shift Assignments>> C :: 174.06 CA :: 45.07 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.25 HA2 :: 3.70 HA3 :: 4.40 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.63 Ave N Shift Values>> N :: 109.91(4.29) T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.25 CA :: 62.05 CB :: 70.88 CG2 :: 21.20 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 :: 7.75 HA :: 4.57 HB :: 4.31 HG2 :: 1.16 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 :: 117.37 Ave N Shift Values>> N :: 115.7(5.05) Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.49 C Shift Assignments>> C :: 175.50 CA :: 58.31 CB :: 38.83 CD1 :: 133.63 CD2 :: 133.63 CE1 :: 120.29 CE2 :: 120.29 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 :: 9.60 HA :: 4.86 HB2 :: 3.15 HB3 :: 2.69 HD1 :: 7.23 HD2 :: 7.23 HE1 :: 6.86 HE2 :: 6.86 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 :: 131.00 Ave N Shift Values>> N :: 120.79(4.69) K92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 K 0.39 R 0.01 M 0.01 C Shift Assignments>> C :: 173.25 CA :: 56.15 CB :: 34.94 CG :: 23.82 CD :: 28.26 CE :: 40.75 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 :: 8.70 HA :: 4.14 HB2 :: 1.13 HB3 :: 0.83(S) HG2 :: 0.66 HG3 :: 1.15 HD2 :: 1.69 HD3 :: 0.44(S) HE2 :: 2.85 HE3 :: 3.01 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 :: 132.78 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.44 G 0.05 C Shift Assignments>> C :: 172.62 CA :: 56.26 CB :: 42.63 CD1 :: 133.81 CD2 :: 133.81 CE1 :: 118.58 CE2 :: 118.58 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 :: 8.51 HA :: 4.83 HB2 :: 2.74 HB3 :: 3.50 HD1 :: 6.56 HD2 :: 6.56 HE1 :: 6.82 HE2 :: 6.82 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 :: 110.25 Ave N Shift Values>> N :: 120.79(4.69) L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 A 0.34 G 0.17 L 0.01 C Shift Assignments>> C :: 173.58 CA :: 52.72 CB :: 47.67 CG :: 27.88 CD1 :: 22.23 CD2 :: 26.96 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 :: 9.45 HA :: 5.40 HB2 :: 1.19 HB3 :: 2.05 HG :: 1.46 HD1 :: 0.76 HD2 :: 0.92 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 :: 123.03 Ave N Shift Values>> N :: 121.98(4.07) E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.22 E 0.11 C Shift Assignments>> C :: 175.28 CA :: 54.58 CB :: 33.76 CG :: 36.36 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 :: 9.05 HA :: 5.40 HB2 :: 2.01 HB3 :: 2.13 HG2 :: 2.25 HG3 :: 2.25 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 :: 126.57 Ave N Shift Values>> N :: 120.68(3.68) V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.24 C Shift Assignments>> C :: 173.44 CA :: 60.70 CB :: 36.54 CG1 :: 22.37 CG2 :: 23.21 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 :: 8.98 HA :: 5.00 HB :: 1.94 HG1 :: 1.10 HG2 :: 1.04 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.54 Ave N Shift Values>> N :: 121.02(4.96) Q97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 Q 0.31 E 0.18 N 0.01 C Shift Assignments>> C :: 175.84 CA :: 54.27 CB :: 31.92 CG :: 34.68 CD :: 179.59 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 :: 8.82 HA :: 5.84(S) HB2 :: 2.03 HB3 :: 2.13 HG2 :: 2.29 HG3 :: 2.42 HE21 :: 6.77 HE22 :: 7.51 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 :: 125.58 NE2 :: 111.86 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 G 0.01 C Shift Assignments>> C :: 169.73 CA :: 56.00 CB :: 41.77 CD1 :: 133.49 CD2 :: 133.49 CE1 :: 119.24 CE2 :: 119.24 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 :: 9.38 HA :: 5.30 HB2 :: 2.95 HB3 :: 2.83 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 6.68 HE2 :: 6.68 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.25 Ave N Shift Values>> N :: 120.79(4.69) D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 C 0.04 L 0.04 R 0.01 D 0.01 C Shift Assignments>> C :: 175.24 CA :: 50.63 CB :: 44.79 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 :: 9.04 HA :: 5.11 HB2 :: 2.64 HB3 :: 2.64 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 :: 120.41 Ave N Shift Values>> N :: 120.73(4.2) C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.21 D 0.14 C 0.1 K 0.09 F 0.04 G 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 174.38 CA :: 54.35 CB :: 43.04 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.61 HA :: 5.63 HB2 :: 2.86 HB3 :: 2.83 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 :: 119.59 Ave N Shift Values>> N :: 119.95(4.79) V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.29 A 0.04 C Shift Assignments>> CA :: 57.98 CB :: 33.37 CG1 :: 21.61 CG2 :: 19.23 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 :: 9.86 HA :: 4.86 HB :: 2.25 HG1 :: 0.89 HG2 :: 0.82 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 :: 121.41 Ave N Shift Values>> N :: 121.02(4.96) P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> C :: 177.12 CA :: 62.82 CB :: 32.02 CG :: 27.86 CD :: 50.53 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 :: 4.58 HB2 :: 2.30 HB3 :: 1.75 HG2 :: 2.03 HG3 :: 2.03 HD2 :: 3.61 HD3 :: 3.83 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) Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 174.98 CA :: 58.18 CB :: 39.15 CD1 :: 133.23 CD2 :: 133.23 CE1 :: 117.98 CE2 :: 117.98 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 :: 8.63 HA :: 4.44 HB2 :: 3.14 HB3 :: 2.90 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 6.80 HE2 :: 6.80 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.46 Ave N Shift Values>> N :: 120.79(4.69) K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.13 M 0.03 G 0.01 C Shift Assignments>> C :: 174.76 CA :: 55.41 CB :: 34.13 CG :: 24.40 CD :: 29.18 CE :: 42.18 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 :: 7.84 HA :: 4.28 HB2 :: 1.55 HB3 :: 1.65 HG2 :: 1.23 HG3 :: 1.23 HD2 :: 1.60 HD3 :: 1.60 HE2 :: 2.93 HE3 :: 2.93 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 :: 126.52 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.28 CA :: 62.41 CB :: 32.63 CG1 :: 20.79 CG2 :: 21.17 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 :: 8.09 HA :: 3.99 HB :: 2.00 HG1 :: 0.91 HG2 :: 0.91 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.31 Ave N Shift Values>> N :: 121.02(4.96) E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 M 0.13 I 0.06 K 0.01 Q 0.01 C Shift Assignments>> CA :: 57.92 CB :: 31.48 CG :: 36.62 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 :: 7.91 HA :: 4.12 HB2 :: 1.87 HB3 :: 2.00 HG2 :: 2.15 HG3 :: 2.15 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 :: 129.64 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 5 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 453 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 H Shift Results: #Consistent: 612 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 110 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: R8 HB2 = 0.56(S), Expected = 1.79, Std = 0.2800, ChiSquare = 1.1187e-05 L20 HB3 = 0.31(S), Expected = 1.57, Std = 0.3600, ChiSquare = 4.6526e-04 D39 CB = 46.44(S), Expected = 40.70, Std = 1.6700, ChiSquare = 5.8792e-04 Q54 CD = 181.32(M), Expected = 179.68, Std = 1.1700, ChiSquare = 1.6100e-01 N70 ND2 = 130.61(M), Expected = 112.83, Std = 2.6000, ChiSquare = 8.0048e-12 K92 HB3 = 0.83(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.5834e-04 K92 HD3 = 0.44(S), Expected = 1.61, Std = 0.2500, ChiSquare = 2.8687e-06 Q97 HA = 5.84(S), Expected = 4.28, Std = 0.4400, ChiSquare = 3.9194e-04