G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 172.85 CA :: 45.45 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.03 HA3 :: 3.80 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.05 CA :: 60.67 CB :: 33.48 CG1 :: 21.03 CG2 :: 20.50 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 :: 7.40 HA :: 4.80 HB :: 1.59 HG1 :: 0.38 HG2 :: 0.35 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.48 Ave N Shift Values>> N :: 121.02(4.96) F3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.14 R 0.14 Y 0.11 D 0.09 I 0.01 C Shift Assignments>> C :: 174.33 CA :: 57.07 CB :: 41.92 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 :: 8.77 HA :: 4.71 HB2 :: 3.09 HB3 :: 2.88 HD1 :: 7.22 HD2 :: 7.22 HE1 :: 7.34 HE2 :: 7.34 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 :: 128.00 Ave N Shift Values>> N :: 120.69(4.18) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.21 CA :: 62.46 CB :: 70.92 CG2 :: 22.20 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 :: 8.37 HA :: 5.30 HB :: 3.62 HG2 :: 0.96 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 :: 123.52 Ave N Shift Values>> N :: 115.7(5.05) Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 F 0.15 R 0.13 Y 0.11 D 0.09 I 0.02 C Shift Assignments>> C :: 174.46 CA :: 57.15 CB :: 41.85 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 :: 9.01 HA :: 4.71 HB2 :: 3.06 HB3 :: 2.71 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 6.52 HE2 :: 6.52 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 :: 125.69 Ave N Shift Values>> N :: 120.79(4.69) E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.9 Q 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 175.63 CA :: 55.20 CB :: 32.84 CG :: 36.42 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 :: 8.74 HA :: 5.23 HB2 :: 1.99 HB3 :: 1.86 HG2 :: 2.12 HG3 :: 2.12 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.55 Ave N Shift Values>> N :: 120.68(3.68) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 176.05 CA :: 57.62 CB :: 66.55 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.91 HA :: 4.70 HB2 :: 3.65 HB3 :: 3.65 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 :: 117.35 Ave N Shift Values>> N :: 116.3(3.95) E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.95 I 0.03 Q 0.01 C Shift Assignments>> C :: 174.67 CA :: 54.74 CB :: 33.54 CG :: 37.07 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 :: 8.22 HA :: 5.41 HB2 :: 1.78 HB3 :: 1.78 HG2 :: 2.02 HG3 :: 1.94 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 :: 122.26 Ave N Shift Values>> N :: 120.68(3.68) F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.22 K 0.17 F 0.12 Y 0.1 N 0.06 R 0.04 HN Overlap>> Y83 C Shift Assignments>> C :: 173.94 CA :: 55.16 CB :: 41.18 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 :: 8.67 HA :: 5.03 HB2 :: 3.16 HB3 :: 2.64 HD1 :: 6.98 HD2 :: 6.98 HE1 :: 7.07 HE2 :: 7.07 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 120.69(4.18) T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.37 CA :: 60.68 CB :: 71.32 CG2 :: 21.66 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 :: 8.43 HA :: 5.03 HB :: 4.15 HG2 :: 1.14 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 :: 112.36 Ave N Shift Values>> N :: 115.7(5.05) S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 175.44 CA :: 56.06 CB :: 66.17 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.61 HA :: 4.90 HB2 :: 3.72 HB3 :: 3.31 HG :: 6.75 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 :: 114.28 Ave N Shift Values>> N :: 116.3(3.95) E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.72 I 0.15 K 0.08 Q 0.02 C Shift Assignments>> C :: 175.93 CA :: 57.40 CB :: 30.51 CG :: 36.78 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 :: 9.30 HA :: 4.29 HB2 :: 2.15 HB3 :: 1.81 HG2 :: 2.26 HG3 :: 2.26 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 :: 127.45 Ave N Shift Values>> N :: 120.68(3.68) I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 I 0.37 C Shift Assignments>> CA :: 56.48 CB :: 36.68 CG1 :: 26.71 CG2 :: 17.39 CD1 :: 9.38 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 :: 8.49 HA :: 4.42 HB :: 2.15 HG2 :: 1.09 HG12 :: 1.65 HG13 :: 1.27 HD1 :: 0.75 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.31 Ave N Shift Values>> N :: 121.6(4.72) P14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 G 0.02 C Shift Assignments>> C :: 179.32 CA :: 66.57 CB :: 30.44 CG :: 28.22 CD :: 49.44 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 :: 3.96 HB2 :: 2.42 HB3 :: 1.91 HG2 :: 2.05 HG3 :: 2.05 HD2 :: 3.41 HD3 :: 3.29 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) R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.41 C Shift Assignments>> C :: 177.21 CA :: 58.94 CB :: 30.88 CG :: 28.43 CD :: 44.37 CZ :: 159.56 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.59 HA :: 4.22 HB2 :: 1.81 HB3 :: 1.60 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 3.27 HD3 :: 3.27 HE :: 6.75 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 :: 115.54 NE :: 85.48 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 G 0.01 C Shift Assignments>> C :: 178.33 CA :: 57.51 CB :: 42.03 CG :: 27.40 CD1 :: 23.50 CD2 :: 24.99 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.60 HA :: 3.82 HB2 :: 1.53 HB3 :: 1.25 HG :: 1.57 HD1 :: 0.83 HD2 :: 0.78 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.12 Ave N Shift Values>> N :: 121.98(4.07) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 F 0.24 Y 0.17 K 0.01 C Shift Assignments>> C :: 177.80 CA :: 62.43 CB :: 40.22 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.19 HA :: 3.84 HB2 :: 3.17 HB3 :: 3.01 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 7.13 HE2 :: 7.13 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.70 Ave N Shift Values>> N :: 120.69(4.18) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.30 CA :: 60.35 CB :: 33.26 CG :: 26.40 CD :: 29.45 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 :: 7.56 HA :: 3.69 HB2 :: 2.04 HB3 :: 1.95 HG2 :: 1.55 HG3 :: 1.55 HD2 :: 1.82 HD3 :: 1.82 HE2 :: 3.01 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 :: 117.89 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 L 0.16 V 0.03 T 0.01 C Shift Assignments>> C :: 175.26 CA :: 54.39 CB :: 20.59 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.04 HA :: 3.18 HB :: 0.82 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.15 Ave N Shift Values>> N :: 123.23(3.7) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.28 I 0.11 L 0.09 K 0.08 D 0.06 R 0.01 N 0.01 C Shift Assignments>> C :: 174.01 CA :: 58.19 CB :: 40.29 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 :: 8.22 HA :: 4.15 HB2 :: 2.94 HB3 :: 2.80 HD1 :: 6.91 HD2 :: 6.91 HE1 :: 7.14 HE2 :: 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 :: 110.09 Ave N Shift Values>> N :: 120.69(4.18) V23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.64 CA :: 63.71 CB :: 30.82 CG1 :: 21.25 CG2 :: 20.16 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 :: 7.11 HA :: 3.13 HB :: 0.79(S) HG1 :: 0.08 HG2 :: -0.30(S) 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 :: 114.12 Ave N Shift Values>> N :: 121.02(4.96) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 L 0.32 I 0.2 R 0.04 C Shift Assignments>> C :: 178.51 CA :: 57.28 CB :: 40.35 CG :: 25.39 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.04 HA :: 3.85 HB2 :: 2.02 HB3 :: 1.46 HG :: 1.04 HD1 :: 1.20 HD2 :: 0.73 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 :: 115.24 Ave N Shift Values>> N :: 121.98(4.07) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.21 G 0.17 D 0.15 K 0.04 F 0.02 Y 0.02 N 0.01 C Shift Assignments>> C :: 177.47 CA :: 53.06 CB :: 43.53 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 :: 7.65 HA :: 5.35 HB2 :: 2.80 HB3 :: 2.44 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 :: 117.01 Ave N Shift Values>> N :: 120.73(4.2) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 I 0.19 V 0.1 T 0.03 L 0.02 C Shift Assignments>> C :: 178.70 CA :: 56.28 CB :: 18.93 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.38 HA :: 3.71 HB :: 1.11 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.84 Ave N Shift Values>> N :: 123.23(3.7) D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.27 D 0.15 L 0.11 I 0.05 N 0.05 K 0.04 E 0.01 C Shift Assignments>> C :: 175.90 CA :: 56.77 CB :: 39.86 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 :: 8.11 HA :: 3.97 HB2 :: 2.51 HB3 :: 2.32 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 :: 113.49 Ave N Shift Values>> N :: 120.73(4.2) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.28 L 0.12 F 0.1 Y 0.09 K 0.03 C Shift Assignments>> C :: 176.24 CA :: 53.77 CB :: 40.06 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 :: 7.24 HA :: 4.67 HB2 :: 2.70 HB3 :: 2.64 HD21 :: 8.26 HD22 :: 6.89 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 :: 113.13 ND2 :: 116.14 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.24 G 0.06 A 0.01 C Shift Assignments>> C :: 177.95 CA :: 57.59 CB :: 42.75 CG :: 27.10 CD1 :: 25.76 CD2 :: 22.13 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 :: 8.16 HA :: 4.01 HB2 :: 1.68 HB3 :: 1.41 HG :: 1.04 HD1 :: 0.62 HD2 :: 0.41 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.79 Ave N Shift Values>> N :: 121.98(4.07) V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 68.85 CB :: 28.81 CG1 :: 23.65 CG2 :: 23.12 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 :: 8.28 HA :: 3.45 HB :: 2.14 HG1 :: 0.91 HG2 :: 0.88 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.85 Ave N Shift Values>> N :: 121.02(4.96) P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.60 CA :: 65.54 CB :: 31.24 CG :: 28.30 CD :: 50.27 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 :: 4.47 HB2 :: 2.33 HB3 :: 1.58 HG2 :: 2.00 HG3 :: 2.00 HD2 :: 3.36 HD3 :: 3.08 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) K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.22 R 0.13 V 0.11 H 0.1 E 0.09 I 0.01 C Shift Assignments>> C :: 178.15 CA :: 58.04 CB :: 32.95 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 :: 6.95 HA :: 4.09 HB2 :: 1.85 HB3 :: 1.53 HG2 :: 1.32 HG3 :: 1.32 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 :: 112.26 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.50 CB :: 39.55 CG1 :: 25.60 CG2 :: 18.33 CD1 :: 14.14 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 :: 7.41 HA :: 4.34 HB :: 1.86 HG2 :: 0.57 HG12 :: 1.19 HG13 :: 1.05 HD1 :: 0.47 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 :: 111.38 Ave N Shift Values>> N :: 121.6(4.72) A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> CA :: 50.65 CB :: 19.21 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.85 HA :: 4.84 HB :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.96 Ave N Shift Values>> N :: 123.23(3.7) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.47 CA :: 64.28 CB :: 31.42 CG :: 27.17 CD :: 50.32 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 :: 4.62 HB2 :: 2.41 HB3 :: 1.94 HG2 :: 1.92 HG3 :: 1.92 HD2 :: 3.60 HD3 :: 3.26 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) Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 R 0.19 E 0.08 I 0.01 C Shift Assignments>> C :: 175.97 CA :: 57.20 CB :: 27.52 CG :: 33.47 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 :: 8.64 HA :: 4.16 HB2 :: 2.03 HB3 :: 1.96 HG2 :: 2.42 HG3 :: 2.25 HE21 :: 7.55 HE22 :: 6.90 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 :: 115.89 NE2 :: 111.73 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 L 0.02 HN Overlap>> Y150 C Shift Assignments>> CA :: 53.67 CB :: 19.53 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.03 HA :: 4.29 HB :: 1.34 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.60 Ave N Shift Values>> N :: 123.23(3.7) I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.04 CA :: 61.85 CB :: 41.40 CG1 :: 27.26 CG2 :: 17.00 CD1 :: 12.92 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 :: 7.37 HA :: 4.03 HB :: 1.47 HG2 :: 0.61 HG12 :: 1.31 HG13 :: 0.92 HD1 :: 0.66 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 :: 116.23 Ave N Shift Values>> N :: 121.6(4.72) K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> E130 C Shift Assignments>> C :: 176.60 CA :: 57.10 CB :: 34.01 CG :: 24.86 CD :: 29.90 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 :: 8.76 HA :: 4.41 HB2 :: 1.69 HB3 :: 1.50 HG2 :: 1.24 HG3 :: 1.24 HE2 :: 2.92 HE3 :: 2.92 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 :: 125.37 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.32 R 0.11 H 0.11 E 0.06 V 0.03 C Shift Assignments>> C :: 172.42 CA :: 55.77 CB :: 33.23 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.64 HA :: 4.65 HB2 :: 3.03 HB3 :: 2.99 HD2 :: 6.86 HE1 :: 7.66 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.86 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.58 CA :: 56.36 CB :: 64.77 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.90 HA :: 5.11 HB2 :: 3.46 HB3 :: 3.32 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.18 Ave N Shift Values>> N :: 116.3(3.95) E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.87 Q 0.1 I 0.01 C Shift Assignments>> C :: 174.73 CA :: 54.30 CB :: 33.88 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 :: 8.57 HA :: 4.59 HB2 :: 2.04 HB3 :: 1.88 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.77 Ave N Shift Values>> N :: 120.68(3.68) I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.26 CA :: 62.10 CB :: 37.74 CG1 :: 28.76 CG2 :: 18.09 CD1 :: 11.80 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 :: 8.84 HA :: 4.03 HB :: 1.76 HG2 :: 0.69 HG12 :: 1.60 HG13 :: 1.60 HD1 :: 0.70 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 :: 125.18 Ave N Shift Values>> N :: 121.6(4.72) L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.22 K 0.18 D 0.12 F 0.08 Y 0.06 G 0.01 N 0.01 C Shift Assignments>> C :: 177.23 CA :: 55.88 CB :: 42.56 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 :: 9.13 HA :: 4.41 HB2 :: 1.60 HB3 :: 1.60 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.14 Ave N Shift Values>> N :: 121.98(4.07) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.87 Q 0.09 I 0.02 C Shift Assignments>> C :: 174.68 CA :: 55.71 CB :: 33.48 CG :: 35.95 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 :: 7.60 HA :: 4.55 HB2 :: 2.11 HB3 :: 1.92 HG2 :: 2.20 HG3 :: 2.13 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 :: 116.33 Ave N Shift Values>> N :: 120.68(3.68) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.17 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.55 CA :: 44.56 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.52 HA2 :: 4.63 HA3 :: 3.79 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.06 Ave N Shift Values>> N :: 109.91(4.29) D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 N 0.11 R 0.06 F 0.05 Y 0.04 HN Overlap>> Y66 C Shift Assignments>> C :: 177.22 CA :: 53.13 CB :: 41.71 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 :: 7.85 HA :: 4.70 HB2 :: 3.02 HB3 :: 2.53 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.30 Ave N Shift Values>> N :: 120.73(4.2) G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 174.61 CA :: 45.15 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.75 HA2 :: 4.64 HA3 :: 3.39 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.79 Ave N Shift Values>> N :: 109.91(4.29) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.3 G 0.11 D 0.05 F 0.04 K 0.04 Y 0.02 I 0.01 C Shift Assignments>> CA :: 43.54 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.25 HA2 :: 4.46 HA3 :: 4.00 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.83 Ave N Shift Values>> N :: 109.91(4.29) P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.52 CA :: 64.73 CB :: 31.32 CG :: 26.43 CD :: 49.91 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 :: 3.95 HB2 :: 2.32 HB3 :: 1.95 HG2 :: 1.96 HG3 :: 1.96 HD2 :: 3.75 HD3 :: 3.61 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) G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.07 CA :: 44.77 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.36 HA2 :: 4.53 HA3 :: 3.49 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.40 Ave N Shift Values>> N :: 109.91(4.29) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.30 CA :: 64.27 CB :: 69.72 CG2 :: 21.24 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 :: 7.90 HA :: 4.66 HB :: 4.01 HG1 :: 6.79 HG2 :: 1.25 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 :: 118.83 Ave N Shift Values>> N :: 115.7(5.05) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.31 CA :: 59.66 CB :: 39.69 CG1 :: 27.34 CG2 :: 17.96 CD1 :: 12.10 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 :: 8.52 HA :: 5.23 HB :: 1.76 HG2 :: 0.89 HG12 :: 1.74 HG13 :: 1.03 HD1 :: 0.82 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 :: 125.42 Ave N Shift Values>> N :: 121.6(4.72) K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 E 0.12 I 0.1 L 0.05 Q 0.04 R 0.01 C Shift Assignments>> C :: 174.30 CA :: 54.11 CB :: 36.42 CG :: 25.33 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.41 HA :: 5.26 HB2 :: 1.55 HB3 :: 1.47 HG2 :: 1.25 HG3 :: 1.25 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 :: 126.67 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 N 0.18 Y 0.13 K 0.12 Q 0.06 F 0.05 I 0.01 D 0.01 H 0.01 C Shift Assignments>> C :: 174.94 CA :: 54.82 CB :: 35.97 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.23 HA :: 5.13 HB2 :: 1.84 HB3 :: 1.44 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.50 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.84 CA :: 60.52 CB :: 39.62 CG1 :: 27.87 CG2 :: 18.94 CD1 :: 13.43 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 :: 9.17 HA :: 4.62 HB :: 1.52 HG2 :: 0.64 HG12 :: 1.07 HG13 :: 0.87 HD1 :: 0.35 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 :: 132.34 Ave N Shift Values>> N :: 121.6(4.72) T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> E148 C Shift Assignments>> C :: 175.73 CA :: 61.33 CB :: 70.13 CG2 :: 21.71 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 :: 8.78 HA :: 4.79 HB :: 3.85 HG2 :: 1.21 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.78 Ave N Shift Values>> N :: 115.7(5.05) F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.19 L 0.18 Y 0.16 D 0.15 R 0.04 I 0.02 N 0.02 C Shift Assignments>> C :: 174.37 CA :: 56.66 CB :: 40.98 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 :: 8.36 HA :: 4.91 HB2 :: 3.11 HB3 :: 2.93 HD1 :: 7.05 HD2 :: 7.05 HE1 :: 7.15 HE2 :: 7.15 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 :: 123.93 Ave N Shift Values>> N :: 120.69(4.18) G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.06 CA :: 44.68 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.02 HA2 :: 4.10 HA3 :: 3.97 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.42 Ave N Shift Values>> N :: 109.91(4.29) E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 R 0.22 E 0.2 Q 0.18 K 0.11 I 0.02 V 0.01 HN Overlap>> N142 C Shift Assignments>> C :: 176.17 CA :: 56.49 CB :: 30.39 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 :: 8.15 HA :: 4.28 HB2 :: 2.01 HB3 :: 1.90 HG2 :: 2.20 HG3 :: 2.20 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.05 Ave N Shift Values>> N :: 120.68(3.68) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.39 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.50 HA2 :: 4.02 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.03 Ave N Shift Values>> N :: 109.91(4.29) S62 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.15 R 0.09 C Shift Assignments>> C :: 174.94 CA :: 56.12 CB :: 28.81 CG :: 33.82 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>> HG2 :: 2.18 HE21 :: 7.40 HE22 :: 6.73 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>> NE2 :: 112.14 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.29 D 0.12 L 0.07 I 0.07 N 0.06 E 0.02 K 0.01 C Shift Assignments>> C :: 175.62 CA :: 56.95 CB :: 39.38 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 :: 7.76 HA :: 4.77 HB2 :: 2.87 HB3 :: 2.72 HD1 :: 6.92 HD2 :: 6.92 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.37 Ave N Shift Values>> N :: 120.79(4.69) G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 176.55 CA :: 45.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.21 HA2 :: 4.01 HA3 :: 3.65 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.00 Ave N Shift Values>> N :: 109.91(4.29) Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 D 0.16 F 0.13 Y 0.1 R 0.09 N 0.02 I 0.01 HN Overlap>> D47 C Shift Assignments>> C :: 174.64 CA :: 56.10 CB :: 41.65 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 :: 7.95 HA :: 5.62 HB2 :: 2.86 HB3 :: 2.86 HD1 :: 6.83 HD2 :: 6.83 HE1 :: 6.71 HE2 :: 6.71 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 :: 115.33 Ave N Shift Values>> N :: 120.79(4.69) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 V 0.27 A 0.02 C Shift Assignments>> C :: 175.26 CA :: 59.61 CB :: 36.49 CG1 :: 23.59 CG2 :: 19.25 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 :: 8.92 HA :: 4.93 HB :: 2.29 HG1 :: 1.16 HG2 :: 0.77 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 :: 113.33 Ave N Shift Values>> N :: 121.02(4.96) K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 N 0.18 Y 0.18 F 0.08 K 0.07 I 0.02 D 0.02 Q 0.02 HN Overlap>> N125 C Shift Assignments>> C :: 175.67 CA :: 55.31 CB :: 36.49 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 :: 8.56 HA :: 5.67 HB2 :: 1.68 HB3 :: 1.65 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.58 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 E 0.14 K 0.08 Y 0.07 Q 0.05 F 0.02 D 0.01 P 0.01 H 0.01 C Shift Assignments>> C :: 174.03 CA :: 52.25 CB :: 35.83 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.05 HA :: 5.91 HB2 :: 2.83 HB3 :: 2.78 HD2 :: 6.83 HE1 :: 7.30 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.54 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 E 0.27 Y 0.11 K 0.1 Q 0.05 F 0.04 D 0.01 H 0.01 C Shift Assignments>> C :: 175.84 CA :: 53.80 CB :: 35.98 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.68 HA :: 5.54 HB2 :: 1.83 HB3 :: 1.50 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.68 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.17 CA :: 62.30 CB :: 36.73 CG1 :: 27.59 CG2 :: 17.14 CD1 :: 11.75 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 :: 9.22 HA :: 3.95 HB :: 2.07 HG2 :: 0.92 HG12 :: 1.58 HG13 :: 1.46 HD1 :: 0.84 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.68 Ave N Shift Values>> N :: 121.6(4.72) D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 K 0.16 F 0.09 D 0.08 Y 0.06 G 0.02 C Shift Assignments>> C :: 176.23 CA :: 56.59 CB :: 42.83 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 :: 9.02 HA :: 4.91 HB2 :: 2.56 HB3 :: 2.34 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 :: 130.80 Ave N Shift Values>> N :: 120.73(4.2) S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.32 CA :: 58.37 CB :: 64.89 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.20 HA :: 4.59 HB2 :: 3.81 HB3 :: 3.78 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.57 Ave N Shift Values>> N :: 116.3(3.95) I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> Y83 C Shift Assignments>> C :: 173.69 CA :: 62.18 CB :: 41.50 CG1 :: 28.51 CG2 :: 17.32 CD1 :: 14.37 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 :: 8.53 HA :: 4.66 HB :: 1.96 HG2 :: 1.04 HG12 :: 1.71 HG13 :: 1.22 HD1 :: 0.95 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.06 Ave N Shift Values>> N :: 121.6(4.72) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.16 K 0.09 F 0.05 R 0.04 Y 0.03 HN Overlap>> I114 C Shift Assignments>> C :: 176.34 CA :: 52.28 CB :: 41.58 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 :: 9.06 HA :: 5.01 HB2 :: 3.11 HB3 :: 2.45 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.87 Ave N Shift Values>> N :: 120.73(4.2) K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.32 Q 0.14 V 0.01 C Shift Assignments>> C :: 176.69 CA :: 58.21 CB :: 32.57 CG :: 25.95 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 :: 8.80 HA :: 3.82 HB2 :: 1.87 HB3 :: 1.87 HG2 :: 1.57 HG3 :: 1.51 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.77 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.21 K 0.11 Q 0.03 C Shift Assignments>> C :: 176.32 CA :: 57.94 CB :: 29.76 CG :: 36.68 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 :: 8.03 HA :: 3.86 HB2 :: 1.91 HB3 :: 1.86 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 :: 117.34 Ave N Shift Values>> N :: 120.68(3.68) N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.26 Y 0.05 F 0.05 L 0.05 C Shift Assignments>> C :: 173.57 CA :: 51.83 CB :: 39.32 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 :: 7.26 HA :: 4.44 HB2 :: 2.63 HB3 :: 2.24 HD21 :: 8.44 HD22 :: 6.86 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 :: 113.40 ND2 :: 117.23 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Y79 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 K 0.17 Q 0.13 Y 0.1 I 0.05 V 0.04 F 0.03 H 0.01 R 0.01 C Shift Assignments>> C :: 173.38 CA :: 57.59 CB :: 35.39 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 :: 6.68 HA :: 2.82 HB2 :: 3.54 HB3 :: 2.55 HD1 :: 6.43 HD2 :: 6.43 HE1 :: 6.65 HE2 :: 6.65 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.50 Ave N Shift Values>> N :: 120.79(4.69) SRO Rule Breaks>> (HA > HB2 : 0.9923) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 172.92 CA :: 56.44 CB :: 66.66 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.15 HA :: 5.81 HB2 :: 3.89 HB3 :: 3.78 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.06 Ave N Shift Values>> N :: 116.3(3.95) Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 K 0.13 D 0.09 F 0.07 Y 0.05 G 0.03 C Shift Assignments>> C :: 173.69 CA :: 55.91 CB :: 43.01 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 :: 9.19 HA :: 5.47 HB2 :: 3.30 HB3 :: 2.91 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.49 HE2 :: 6.49 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 :: 125.08 Ave N Shift Values>> N :: 120.79(4.69) S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> E96 C Shift Assignments>> C :: 172.92 CA :: 56.68 CB :: 65.69 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.18 HA :: 5.53 HB2 :: 4.12 HB3 :: 4.05 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.78 Ave N Shift Values>> N :: 116.3(3.95) Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 D 0.16 L 0.16 K 0.14 N 0.03 I 0.03 R 0.02 HN Overlap>> F9 I74 C Shift Assignments>> C :: 172.19 CA :: 56.64 CB :: 40.66 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 :: 8.57 HA :: 5.33 HB2 :: 2.72 HB3 :: 2.72 HD1 :: 6.06 HD2 :: 6.06 HE1 :: 5.88 HE2 :: 5.88 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.13 Ave N Shift Values>> N :: 120.79(4.69) T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.48 CA :: 61.84 CB :: 71.95 CG2 :: 22.72 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.55 HA :: 5.05 HB :: 3.90 HG2 :: 0.96 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 :: 116.82 Ave N Shift Values>> N :: 115.7(5.05) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 L 0.36 G 0.12 K 0.02 C Shift Assignments>> C :: 175.25 CA :: 55.63 CB :: 43.41 CG :: 28.57 CD1 :: 26.33 CD2 :: 25.70 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 :: 9.77 HA :: 5.14 HB2 :: 2.17 HB3 :: 1.82 HG :: 1.77 HD1 :: 1.28 HD2 :: 0.98 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 :: 130.77 Ave N Shift Values>> N :: 121.98(4.07) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.07 CA :: 61.30 CB :: 39.72 CG1 :: 26.33 CG2 :: 18.90 CD1 :: 14.19 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 :: 8.04 HA :: 4.75 HB :: 2.13 HG2 :: 0.95 HG12 :: 1.38 HG13 :: 0.91 HD1 :: 0.92 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.61 Ave N Shift Values>> N :: 121.6(4.72) E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.92 I 0.06 C Shift Assignments>> C :: 173.87 CA :: 56.92 CB :: 34.94 CG :: 37.08 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 :: 7.57 HA :: 4.47 HB2 :: 2.24 HB3 :: 1.81 HG2 :: 2.47 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 :: 121.41 Ave N Shift Values>> N :: 120.68(3.68) G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.07 F 0.01 C Shift Assignments>> C :: 174.08 CA :: 45.00 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.77 HA2 :: 4.56 HA3 :: 3.69 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.78 Ave N Shift Values>> N :: 109.91(4.29) D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.21 Y 0.17 L 0.16 D 0.11 R 0.05 I 0.03 N 0.01 C Shift Assignments>> C :: 178.03 CA :: 57.28 CB :: 41.17 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 :: 8.56 HA :: 4.34 HB2 :: 2.76 HB3 :: 2.58 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.02 Ave N Shift Values>> N :: 120.73(4.2) A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 L 0.01 I 0.01 C Shift Assignments>> C :: 178.20 CA :: 53.87 CB :: 19.08 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.24 HA :: 4.02 HB :: 1.24 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.02 Ave N Shift Values>> N :: 123.23(3.7) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 A 0.04 R 0.01 C Shift Assignments>> C :: 177.66 CA :: 55.79 CB :: 40.24 CG :: 27.20 CD1 :: 25.12 CD2 :: 23.00 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.54 HA :: 4.24 HB2 :: 1.96 HB3 :: 1.74 HG :: 1.43 HD1 :: 0.77 HD2 :: 0.60 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 :: 114.70 Ave N Shift Values>> N :: 121.98(4.07) G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.34 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.59 HA2 :: 3.96 HA3 :: 3.96 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.15 Ave N Shift Values>> N :: 109.91(4.29) D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.15 N 0.09 F 0.08 Y 0.07 R 0.05 C Shift Assignments>> C :: 177.43 CA :: 54.22 CB :: 41.43 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 :: 8.79 HA :: 4.84 HB2 :: 2.73 HB3 :: 2.73 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.92 Ave N Shift Values>> N :: 120.73(4.2) T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.18 CA :: 62.31 CB :: 70.46 CG2 :: 22.16 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 :: 7.90 HA :: 4.54 HB :: 4.38 HG2 :: 1.23 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.22 Ave N Shift Values>> N :: 115.7(5.05) L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.36 R 0.04 C Shift Assignments>> C :: 175.67 CA :: 53.85 CB :: 44.27 CG :: 26.36 CD1 :: 26.35 CD2 :: 24.72 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.63 HA :: 5.04 HB2 :: 2.05 HB3 :: 1.24 HG :: 1.75 HD1 :: 1.03 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 :: 120.43 Ave N Shift Values>> N :: 121.98(4.07) E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.79 I 0.1 Q 0.05 K 0.04 HN Overlap>> S82 C Shift Assignments>> C :: 175.83 CA :: 57.79 CB :: 31.65 CG :: 36.29 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 :: 9.14 HA :: 4.18 HB2 :: 2.04 HB3 :: 1.85 HG2 :: 2.20 HG3 :: 2.20 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 :: 122.88 Ave N Shift Values>> N :: 120.68(3.68) K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 V 0.16 A 0.06 R 0.03 Q 0.02 C Shift Assignments>> C :: 174.01 CA :: 55.62 CB :: 33.48 CG :: 22.95 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 :: 7.54 HA :: 4.73 HB2 :: 2.18 HB3 :: 1.53 HG2 :: 1.53 HG3 :: 1.53 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 :: 108.65 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) I98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 174.67 CA :: 60.76 CB :: 41.72 CG1 :: 27.19 CG2 :: 16.36 CD1 :: 14.22 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 :: 7.43 HA :: 4.84 HB :: 1.36 HG2 :: -0.31(S) HG12 :: 1.36 HG13 :: 0.45 HD1 :: 0.66 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.03 Ave N Shift Values>> N :: 121.6(4.72) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.82 CA :: 57.65 CB :: 65.38 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.10 HA :: 5.01 HB2 :: 3.93 HB3 :: 3.71 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 :: 123.16 Ave N Shift Values>> N :: 116.3(3.95) Y100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.23 L 0.18 F 0.18 Y 0.14 D 0.12 R 0.06 I 0.02 N 0.01 C Shift Assignments>> C :: 176.33 CA :: 56.89 CB :: 41.31 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 :: 9.14 HA :: 5.21 HB2 :: 2.53 HB3 :: 1.57(S) HD1 :: 6.52 HD2 :: 6.52 HE1 :: 6.49 HE2 :: 6.49 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.36 Ave N Shift Values>> N :: 120.79(4.69) E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.92 Q 0.03 I 0.03 C Shift Assignments>> CA :: 55.67 CB :: 33.12 CG :: 36.54 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 :: 8.92 HA :: 5.00 HB2 :: 2.05 HB3 :: 2.00 HG2 :: 2.13 HG3 :: 2.13 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.57 Ave N Shift Values>> N :: 120.68(3.68) T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.73 CA :: 61.98 CB :: 71.78 CG2 :: 22.24 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.17 HA :: 5.49 HB :: 4.17 HG2 :: 1.29 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 122.66 Ave N Shift Values>> N :: 115.7(5.05) K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.39 G 0.02 C Shift Assignments>> C :: 174.32 CA :: 55.19 CB :: 36.30 CG :: 24.94 CD :: 28.98 CE :: 42.10 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.06 HA :: 5.34 HB2 :: 1.86 HB3 :: 1.79 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.64 HD3 :: 1.64 HE2 :: 2.92 HE3 :: 2.92 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 :: 126.84 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 L 0.31 G 0.13 K 0.02 C Shift Assignments>> C :: 175.56 CA :: 54.07 CB :: 43.25 CG :: 28.53 CD1 :: 26.68 CD2 :: 26.44 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 :: 8.44 HA :: 5.36 HB2 :: 2.07 HB3 :: 1.26 HG :: 1.95 HD1 :: 0.90 HD2 :: 1.09 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 :: 123.69 Ave N Shift Values>> N :: 121.98(4.07) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 175.05 CA :: 60.01 CB :: 35.23 CG1 :: 21.11 CG2 :: 20.67 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 :: 8.88 HA :: 4.39 HB :: 2.06 HG1 :: 0.96 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 :: 119.98 Ave N Shift Values>> N :: 121.02(4.96) A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C Shift Assignments>> C :: 177.43 CA :: 52.85 CB :: 18.55 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.74 HA :: 4.44 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.71 Ave N Shift Values>> N :: 123.23(3.7) S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.54 CB :: 64.22 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.16 HA :: 4.85 HB2 :: 4.18 HB3 :: 3.46 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.83 Ave N Shift Values>> N :: 116.3(3.95) P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.39 A 0.24 N 0.17 D 0.07 L 0.03 H 0.02 R 0.01 C Shift Assignments>> CD :: 51.02 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>> HD2 :: 3.88 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) S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.88 CA :: 58.06 CB :: 63.40 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.48 HB2 :: 4.10 HB3 :: 3.75 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) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.08 CA :: 45.34 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.82 HA2 :: 4.41 HA3 :: 3.78 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.02 Ave N Shift Values>> N :: 109.91(4.29) G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.29 G 0.23 D 0.03 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.68 CA :: 43.93 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.35 HA2 :: 3.90 HA3 :: 3.77 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.32 Ave N Shift Values>> N :: 109.91(4.29) S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 S 0.29 C Shift Assignments>> C :: 173.39 CA :: 59.02 CB :: 67.29 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.71 HA :: 5.41 HB2 :: 3.34 HB3 :: 3.34 HG :: 5.72 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.15 Ave N Shift Values>> N :: 116.3(3.95) I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.81 CA :: 61.18 CB :: 39.00 CG1 :: 27.67 CG2 :: 17.64 CD1 :: 13.30 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 :: 9.51 HA :: 4.30 HB :: 1.63 HG2 :: 0.73 HG12 :: 1.33 HG13 :: 1.00 HD1 :: 0.78 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 :: 125.57 Ave N Shift Values>> N :: 121.6(4.72) I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> D75 C Shift Assignments>> C :: 174.81 CA :: 61.13 CB :: 38.55 CG1 :: 28.37 CG2 :: 19.19 CD1 :: 15.14 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 :: 9.05 HA :: 4.36 HB :: 1.17 HG2 :: 0.38 HG12 :: 1.02 HG13 :: 0.45 HD1 :: 0.06 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 :: 127.95 Ave N Shift Values>> N :: 121.6(4.72) K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.16 Q 0.12 V 0.01 C Shift Assignments>> C :: 175.88 CA :: 55.19 CB :: 33.15 CG :: 24.99 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.01 HA :: 4.84 HB2 :: 1.89 HB3 :: 1.82 HG2 :: 1.36 HG3 :: 1.36 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.21 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.79 CA :: 56.86 CB :: 64.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.75 HA :: 5.55 HB2 :: 3.88 HB3 :: 3.66 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.02 Ave N Shift Values>> N :: 116.3(3.95) T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.31 CA :: 62.08 CB :: 70.49 CG2 :: 22.65 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.41 HA :: 4.98 HB :: 3.86 HG2 :: 0.76 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 :: 126.20 Ave N Shift Values>> N :: 115.7(5.05) S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.35 CA :: 55.95 CB :: 66.05 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.94 HA :: 5.06 HB2 :: 3.52 HB3 :: 3.52 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.08 Ave N Shift Values>> N :: 116.3(3.95) H119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.26 K 0.24 R 0.23 Q 0.11 E 0.11 V 0.01 C Shift Assignments>> C :: 174.27 CA :: 53.96 CB :: 31.85 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.28 HA :: 5.27 HB2 :: 3.15 HB3 :: 2.42 HD2 :: 6.62 HE1 :: 7.67 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.33 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.15 D 0.05 L 0.04 E 0.02 N 0.01 K 0.01 C Shift Assignments>> C :: 174.74 CA :: 58.18 CB :: 39.32 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 :: 10.04 HA :: 4.48 HB2 :: 3.48 HB3 :: 2.75 HD1 :: 7.19 HD2 :: 7.19 HE1 :: 6.72 HE2 :: 6.72 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 :: 126.37 Ave N Shift Values>> N :: 120.79(4.69) H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.25 R 0.23 Q 0.19 E 0.18 K 0.1 I 0.01 V 0.01 C Shift Assignments>> C :: 175.70 CA :: 55.55 CB :: 30.50 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.22 HA :: 5.14 HB2 :: 3.26 HB3 :: 3.17 HD2 :: 6.82 HE1 :: 7.52 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.98 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.54 CA :: 61.68 CB :: 70.66 CG2 :: 22.41 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 :: 8.79 HA :: 4.88 HB :: 4.52 HG1 :: 5.85 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 :: 116.48 Ave N Shift Values>> N :: 115.7(5.05) K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.27 R 0.13 H 0.12 E 0.08 V 0.03 C Shift Assignments>> C :: 176.34 CA :: 55.99 CB :: 33.00 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 :: 8.31 HA :: 4.55 HB2 :: 1.81 HB3 :: 1.51 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.00 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> CA :: 45.31 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.33 HA2 :: 3.98 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 :: 109.79 Ave N Shift Values>> N :: 109.91(4.29) N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.12 Y 0.11 F 0.07 E 0.05 L 0.01 HN Overlap>> K68 C Shift Assignments>> C :: 174.62 CA :: 53.29 CB :: 37.77 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 :: 8.55 HA :: 4.70 HB2 :: 2.93 HB3 :: 2.72 HD21 :: 7.51 HD22 :: 6.80 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.69 ND2 :: 112.06 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.77 CA :: 60.94 CB :: 34.36 CG1 :: 19.94 CG2 :: 21.42 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 :: 7.59 HA :: 4.32 HB :: 2.09 HG1 :: 0.94 HG2 :: 0.94 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.29 Ave N Shift Values>> N :: 121.02(4.96) E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.71 K 0.12 Q 0.11 I 0.04 C Shift Assignments>> C :: 175.74 CA :: 55.59 CB :: 30.76 CG :: 36.08 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 :: 8.24 HA :: 4.12 HB2 :: 1.85 HB3 :: 1.79 HG2 :: 2.10 HG3 :: 2.10 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.37 Ave N Shift Values>> N :: 120.68(3.68) I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 175.45 CA :: 59.12 CB :: 37.54 CG1 :: 27.30 CG2 :: 17.13 CD1 :: 12.31 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 :: 7.24 HA :: 3.97 HB :: 1.30 HG2 :: 0.33 HG12 :: 1.02 HG13 :: 0.92 HD1 :: 0.51 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 :: 123.56 Ave N Shift Values>> N :: 121.6(4.72) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.2 Q 0.1 V 0.01 C Shift Assignments>> C :: 177.46 CA :: 55.55 CB :: 32.79 CG :: 25.00 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 :: 8.67 HA :: 4.25 HB2 :: 1.80 HB3 :: 1.43 HG2 :: 1.54 HG3 :: 1.54 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.34 K 0.11 Q 0.04 HN Overlap>> K39 C Shift Assignments>> C :: 178.42 CA :: 59.60 CB :: 29.29 CG :: 36.24 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 :: 8.79 HA :: 3.69 HB2 :: 2.02 HB3 :: 1.92 HG2 :: 2.21 HG3 :: 2.21 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 :: 125.33 Ave N Shift Values>> N :: 120.68(3.68) E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.29 K 0.15 Q 0.07 C Shift Assignments>> C :: 178.53 CA :: 59.44 CB :: 28.88 CG :: 35.94 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 :: 9.16 HA :: 3.93 HB2 :: 1.89 HB3 :: 1.89 HG2 :: 2.08 HG3 :: 2.08 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.27 Ave N Shift Values>> N :: 120.68(3.68) H132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 E 0.2 K 0.16 H 0.15 V 0.1 Q 0.1 I 0.04 C Shift Assignments>> C :: 178.25 CA :: 58.61 CB :: 31.36 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.43 HA :: 4.40 HB2 :: 3.16 HB3 :: 3.16 HD2 :: 6.93 HE1 :: 7.64 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.63 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.91 CA :: 64.86 CB :: 31.63 CG1 :: 20.53 CG2 :: 20.45 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 :: 7.15 HA :: 3.63 HB :: 1.78 HG1 :: 0.16 HG2 :: 0.30 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.89 Ave N Shift Values>> N :: 121.02(4.96) K134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 G 0.01 HN Overlap>> I147 C Shift Assignments>> C :: 178.47 CA :: 59.71 CB :: 32.49 CG :: 24.99 CD :: 29.10 CE :: 41.86 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 :: 8.14 HA :: 3.87 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.40 HG3 :: 1.40 HD2 :: 1.64 HD3 :: 1.64 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 :: 120.99 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 I 0.07 V 0.01 C Shift Assignments>> C :: 180.75 CA :: 54.97 CB :: 18.04 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.91 HA :: 4.19 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 :: 121.41 Ave N Shift Values>> N :: 123.23(3.7) G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> C :: 176.76 CA :: 47.08 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.92 HA2 :: 3.99 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 :: 106.00 Ave N Shift Values>> N :: 109.91(4.29) K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.2 V 0.11 Q 0.06 P 0.03 I 0.01 C Shift Assignments>> C :: 178.80 CA :: 59.61 CB :: 32.60 CG :: 25.10 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 :: 7.92 HA :: 4.28 HB2 :: 2.00 HB3 :: 2.00 HG2 :: 1.62 HG3 :: 1.52 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 :: 124.02 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.29 K 0.12 Q 0.04 C Shift Assignments>> C :: 178.82 CA :: 59.18 CB :: 29.42 CG :: 36.27 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 :: 8.23 HA :: 4.06 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.35 HG3 :: 2.24 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 :: 120.57 Ave N Shift Values>> N :: 120.68(3.68) K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 R 0.32 Q 0.08 P 0.05 V 0.04 I 0.01 C Shift Assignments>> C :: 179.32 CA :: 59.41 CB :: 32.34 CG :: 25.80 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 :: 7.99 HA :: 4.00 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.53 HG3 :: 1.40 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.36 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 I 0.06 V 0.01 C Shift Assignments>> C :: 179.21 CA :: 54.89 CB :: 18.23 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.69 HA :: 3.96 HB :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.90 Ave N Shift Values>> N :: 123.23(3.7) S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.12 CA :: 61.24 CB :: 62.81 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.28 HA :: 3.78 HB2 :: 3.90 HB3 :: 3.90 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.37 Ave N Shift Values>> N :: 116.3(3.95) N142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.23 N 0.14 D 0.12 E 0.08 I 0.05 L 0.04 HN Overlap>> E60 C Shift Assignments>> C :: 177.37 CA :: 56.16 CB :: 38.52 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 :: 8.21 HA :: 4.39 HB2 :: 2.88 HB3 :: 2.71 HD21 :: 7.58 HD22 :: 6.95 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 :: 119.06 ND2 :: 112.47 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.04 C Shift Assignments>> C :: 178.56 CA :: 58.04 CB :: 41.02 CG :: 26.98 CD1 :: 24.94 CD2 :: 23.70 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.68 HA :: 4.01 HB2 :: 1.63 HB3 :: 1.53 HG :: 1.42 HD1 :: 0.74 HD2 :: 0.80 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 :: 121.07 Ave N Shift Values>> N :: 121.98(4.07) F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 Y 0.15 F 0.12 E 0.03 V 0.02 C Shift Assignments>> C :: 178.18 CA :: 62.29 CB :: 37.58 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 :: 8.00 HA :: 3.93 HB2 :: 2.93 HB3 :: 2.76 HD1 :: 6.54 HD2 :: 6.54 HE1 :: 6.50 HE2 :: 6.50 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 :: 117.23 Ave N Shift Values>> N :: 120.69(4.18) K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.27 V 0.11 Q 0.02 P 0.02 C Shift Assignments>> C :: 179.36 CA :: 59.31 CB :: 31.79 CG :: 24.96 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 :: 8.10 HA :: 4.06 HB2 :: 1.98 HB3 :: 1.98 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.05 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 G 0.03 C Shift Assignments>> C :: 180.44 CA :: 58.17 CB :: 42.32 CG :: 26.68 CD1 :: 25.49 CD2 :: 23.46 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.97 HA :: 4.11 HB2 :: 1.99 HB3 :: 1.43 HG :: 1.86 HD1 :: 0.88 HD2 :: 0.88 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 :: 121.29 Ave N Shift Values>> N :: 121.98(4.07) I147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K134 C Shift Assignments>> C :: 177.13 CA :: 65.48 CB :: 37.76 CG1 :: 29.52 CG2 :: 17.39 CD1 :: 13.51 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 :: 8.18 HA :: 3.51 HB :: 1.85 HG2 :: 0.71 HG12 :: 1.72 HG13 :: 0.82 HD1 :: 0.64 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 :: 120.97 Ave N Shift Values>> N :: 121.6(4.72) E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.42 K 0.02 HN Overlap>> T57 C Shift Assignments>> C :: 178.08 CA :: 60.45 CB :: 30.16 CG :: 37.14 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 :: 8.69 HA :: 3.69 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.12 HG3 :: 2.12 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.84 Ave N Shift Values>> N :: 120.68(3.68) T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.13 CA :: 67.07 CB :: 68.79 CG2 :: 21.70 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 :: 8.42 HA :: 3.82 HB :: 4.32 HG2 :: 1.29 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.26 Ave N Shift Values>> N :: 115.7(5.05) Y150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 Y 0.16 F 0.16 E 0.01 HN Overlap>> A37 C Shift Assignments>> C :: 178.78 CA :: 62.37 CB :: 38.41 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 :: 7.96 HA :: 4.31 HB2 :: 3.15 HB3 :: 3.15 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.35 HE2 :: 6.35 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 :: 123.60 Ave N Shift Values>> N :: 120.79(4.69) L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.24 K 0.04 A 0.01 C Shift Assignments>> C :: 180.26 CA :: 57.84 CB :: 41.05 CG :: 26.94 CD1 :: 27.61 CD2 :: 22.95 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 :: 8.81 HA :: 3.96 HB2 :: 1.95 HB3 :: 1.35 HG :: 2.10 HD1 :: 0.76 HD2 :: 0.98 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.40 Ave N Shift Values>> N :: 121.98(4.07) K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.42 CA :: 59.33 CB :: 32.15 CG :: 25.45 CD :: 29.56 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 :: 8.55 HA :: 4.03 HB2 :: 1.99 HB3 :: 1.82 HG2 :: 1.40 HG3 :: 1.40 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.90 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 172.97 CA :: 44.92 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.51 HA2 :: 4.01 HA3 :: 3.60 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.74 Ave N Shift Values>> N :: 109.91(4.29) H154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 R 0.19 Q 0.18 H 0.17 K 0.16 E 0.06 I 0.01 C Shift Assignments>> CA :: 54.10 CB :: 27.98 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.18 HA :: 4.81 HB2 :: 2.89 HB3 :: 2.44 HD2 :: 6.78 HE1 :: 7.85 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.57 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.13 CA :: 64.70 CB :: 32.11 CG :: 26.87 CD :: 50.41 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 :: 4.35 HB2 :: 2.31 HB3 :: 1.94 HG2 :: 1.90 HG3 :: 1.90 HD2 :: 3.56 HD3 :: 3.25 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) D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.17 F 0.09 Y 0.08 K 0.07 R 0.01 C Shift Assignments>> C :: 176.35 CA :: 53.96 CB :: 40.61 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 :: 8.51 HA :: 4.53 HB2 :: 2.64 HB3 :: 2.56 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 :: 114.51 Ave N Shift Values>> N :: 120.73(4.2) A157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 L 0.02 C Shift Assignments>> C :: 177.70 CA :: 52.48 CB :: 19.79 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.72 HA :: 4.15 HB :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.26 Ave N Shift Values>> N :: 123.23(3.7) Y158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 V 0.21 I 0.15 K 0.11 Y 0.09 Q 0.08 F 0.03 R 0.01 H 0.01 C Shift Assignments>> C :: 173.44 CA :: 60.08 CB :: 35.16 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 :: 8.67 HA :: 4.06 HB2 :: 3.30 HB3 :: 3.02 HD1 :: 6.89 HD2 :: 6.89 HE1 :: 6.75 HE2 :: 6.75 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.87 Ave N Shift Values>> N :: 120.79(4.69) N159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 F 0.11 Y 0.1 K 0.09 R 0.01 C Shift Assignments>> CA :: 54.35 CB :: 40.66 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 :: 7.61 HA :: 4.60 HB2 :: 2.77 HB3 :: 2.50 HD21 :: 7.20 HD22 :: 6.80 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 :: 121.61 ND2 :: 112.06 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 155 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 156 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 158 #Suspicious: 1 C Shift Results: #Consistent: 581 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 849 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 155 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: V23 HB = 0.79(S), Expected = 1.99, Std = 0.3300, ChiSquare = 2.7651e-04 V23 HG2 = -0.30(S), Expected = 0.83, Std = 0.2900, ChiSquare = 9.7572e-05 Y79 SRO Rule Break>> HA > HB2 : 0.992304403591278 I98 HG2 = -0.31(S), Expected = 0.80, Std = 0.2900, ChiSquare = 1.2941e-04 Y100 HB3 = 1.57(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.9276e-04