Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.17 R 0.14 Q 0.14 C 0.12 W 0.12 E 0.09 K 0.08 M 0.08 C Shift Assignments>> CA :: 54.3000 CB :: 29.9800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.17 C 0.15 R 0.11 Q 0.11 H 0.1 W 0.06 E 0.04 HN Overlap>> 1.A158 1.A158 C Shift Assignments>> C :: 176.2700 CA :: 55.1800 CB :: 32.5800 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.4200 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.7200 Ave N Shift Values>> N :: 120.09(3.57) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 175.0900 CA :: 61.8400 CB :: 69.2800 CG2 :: 21.1700 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1700 HA :: 4.2900 HB :: 4.1500 HG21 :: 1.1100 HG22 :: 1.1100 HG23 :: 1.1100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.4600 Ave N Shift Values>> N :: 115.42(4.75) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.1000 CA :: 44.8700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5000 HA2 :: 3.9500 HA3 :: 3.9500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.1900 Ave N Shift Values>> N :: 109.67(3.87) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.Q149 1.Q149 C Shift Assignments>> C :: 176.0600 CA :: 61.7200 CB :: 32.2900 CG1 :: 20.7300 CG2 :: 19.8100 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9200 HA :: 4.2200 HB :: 2.0600 HG11 :: 0.8600 HG12 :: 0.8600 HG13 :: 0.8600 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.8000 Ave N Shift Values>> N :: 121.14(4.54) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.5200 CA :: 61.5000 CB :: 69.6500 CG2 :: 21.0600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3800 HA :: 4.4000 HB :: 4.2000 HG21 :: 1.1000 HG22 :: 1.1000 HG23 :: 1.1000 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.4500 Ave N Shift Values>> N :: 115.42(4.75) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.18 G 0.05 A 0.04 R 0.01 C Shift Assignments>> C :: 176.0800 CA :: 53.8900 CB :: 42.9800 CG :: 26.4000 CD1 :: 24.7500 CD2 :: 23.2000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2600 HA :: 5.1600 HB2 :: 1.6400 HB3 :: 1.3500 HG :: 1.6300 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8400 HD22 :: 0.8400 HD23 :: 0.8400 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.4800 Ave N Shift Values>> N :: 121.86(3.9) 1.F10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.29 C 0.14 G 0.04 C Shift Assignments>> C :: 173.9100 CA :: 56.0300 CB :: 42.8000 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 129.8300 CE2 :: 129.8300 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.9500 HA :: 5.1500 HB2 :: 2.7500 HB3 :: 2.7100 HD1 :: 6.9800 HD2 :: 6.9800 HE1 :: 6.6400 HE2 :: 6.6400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.1500 Ave N Shift Values>> N :: 120.45(4.18) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 A 0.06 V 0.02 C Shift Assignments>> C :: 173.7300 CA :: 57.6100 CB :: 34.9800 CG1 :: 17.8600 CG2 :: 20.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.7400 HA :: 5.3500 HB :: 1.7100 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.0500 Ave N Shift Values>> N :: 121.14(4.54) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.03 C 0.03 M 0.02 C Shift Assignments>> C :: 179.5800 CA :: 51.8300 CB :: 20.5300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0700 HA :: 4.8100 HB1 :: 1.8400 HB2 :: 1.8400 HB3 :: 1.8400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.4000 Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 A 0.23 G 0.01 C Shift Assignments>> C :: 175.0900 CA :: 54.9700 CB :: 42.0700 CG :: 26.1400 CD1 :: 24.6000 CD2 :: 21.2000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.4800 HA :: 3.9300 HB2 :: 0.8300 HB3 :: 0.5700 HG :: 1.3600 HD11 :: 0.6000 HD12 :: 0.6000 HD13 :: 0.6000 HD21 :: 0.5600 HD22 :: 0.5600 HD23 :: 0.5600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.4900 Ave N Shift Values>> N :: 121.86(3.9) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.23 G 0.04 C Shift Assignments>> C :: 173.7300 CA :: 53.5800 CB :: 42.2200 CD1 :: 133.5000 CD2 :: 133.5000 CE1 :: 117.3000 CE2 :: 117.3000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.1400 HA :: 4.8800 HB2 :: 2.4700 HB3 :: 3.3300 HD1 :: 6.6400 HD2 :: 6.6400 HE1 :: 6.6000 HE2 :: 6.6000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 111.8400 Ave N Shift Values>> N :: 120.52(4.2) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 N 0.08 F 0.07 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 175.5000 CA :: 54.0000 CB :: 41.5400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3100 HA :: 4.7900 HB2 :: 2.6000 HB3 :: 2.7500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.2800 Ave N Shift Values>> N :: 120.65(3.86) 1.Y16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.72 C 0.27 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 173.3300 CA :: 57.7300 CB :: 41.6400 CD1 :: 133.2000 CD2 :: 133.2000 CE1 :: 116.9200 CE2 :: 116.9200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.3500 HA :: 4.4100 HB2 :: 0.5600(S) HB3 :: 2.2200 HD1 :: 6.8300 HD2 :: 6.8300 HE1 :: 6.6500 HE2 :: 6.6500 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.2000 Ave N Shift Values>> N :: 120.52(4.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 M 0.19 E 0.18 K 0.1 C Shift Assignments>> C :: 173.3000 CA :: 53.3500 CB :: 30.2800 CG :: 35.0300 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.2700 HA :: 4.1700 HB2 :: 1.5200 HB3 :: 1.6100 HG2 :: 2.0200 HG3 :: 2.0400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.0700 Ave N Shift Values>> N :: 120.67(3.48) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 C Shift Assignments>> C :: 178.6100 CA :: 52.4900 CB :: 19.5100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1900 HA :: 3.8400 HB1 :: 1.2700 HB2 :: 1.2700 HB3 :: 1.2700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8900 Ave N Shift Values>> N :: 123.23(3.54) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 C 0.34 K 0.28 G 0.02 C Shift Assignments>> C :: 176.8600 CA :: 56.0600 CB :: 31.4500 CG :: 25.9000 CD :: 42.7100 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.7100 HA :: 4.3400 HB2 :: 1.7900 HB3 :: 1.7900 HG2 :: 1.6400 HG3 :: 1.7600 HD2 :: 3.1800 HD3 :: 3.1800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.5000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.24 A 0.01 C Shift Assignments>> C :: 174.9100 CA :: 59.1100 CB :: 71.1600 CG2 :: 20.8000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5200 HA :: 4.7500 HB :: 4.3700 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.3900 Ave N Shift Values>> N :: 115.42(4.75) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.29 K 0.16 Q 0.14 I 0.05 M 0.01 C Shift Assignments>> C :: 176.7000 CA :: 57.4600 CB :: 28.8800 CG :: 35.6000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7500 HA :: 4.2700 HB2 :: 1.9400 HB3 :: 2.0900 HG2 :: 2.2600 HG3 :: 2.2600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.2800 Ave N Shift Values>> N :: 120.67(3.48) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.8800 CA :: 54.0500 CB :: 41.4600 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0100 HA :: 4.8100 HB2 :: 2.4600 HB3 :: 2.7200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2800 Ave N Shift Values>> N :: 120.65(3.86) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.09 C 0.05 F 0.04 R 0.03 Y 0.03 HN Overlap>> 1.L161 1.L161 C Shift Assignments>> C :: 175.8000 CA :: 52.4000 CB :: 41.7000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0700 HA :: 5.4700 HB2 :: 2.9300 HB3 :: 2.9500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.8900 Ave N Shift Values>> N :: 120.65(3.86) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.17 G 0.07 R 0.02 A 0.01 C Shift Assignments>> C :: 176.6600 CA :: 53.6000 CB :: 43.1000 CG :: 26.4000 CD1 :: 25.0100 CD2 :: 24.3300 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2800 HA :: 4.6900 HB2 :: 1.4800 HB3 :: 1.6900 HG :: 1.4100 HD11 :: 0.8400 HD12 :: 0.8400 HD13 :: 0.8400 HD21 :: 0.8100 HD22 :: 0.8100 HD23 :: 0.8100 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 121.86(3.9) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1500 CA :: 57.7000 CB :: 64.2700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0100 HA :: 4.8400 HB2 :: 3.8100 HB3 :: 4.0200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.3000 Ave N Shift Values>> N :: 116.28(3.52) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.4 C 0.14 C Shift Assignments>> C :: 173.9800 CA :: 55.9500 CB :: 41.0100 CD1 :: 131.8400 CD2 :: 131.8400 CE1 :: 131.9900 CE2 :: 131.9900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.8000 HA :: 5.1400 HB2 :: 3.5100 HB3 :: 3.2100 HD1 :: 7.0200 HD2 :: 7.0200 HE1 :: 7.3200 HE2 :: 7.3200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.3000 Ave N Shift Values>> N :: 120.45(4.18) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 H 0.16 R 0.14 W 0.09 K 0.08 Q 0.07 E 0.05 C Shift Assignments>> C :: 174.1200 CA :: 53.1100 CB :: 31.3700 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.6500 HA :: 5.4800 HB2 :: 3.3800 HB3 :: 3.1000 HD2 :: 6.6400 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.6000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.42 R 0.09 C Shift Assignments>> C :: 174.7000 CA :: 58.0900 CB :: 32.0000 CG :: 23.7000 CD :: 28.7500 CE :: 41.5000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.2200 HA :: 3.5200 HB2 :: 1.7100 HB3 :: 1.6600 HG2 :: 1.1800 HG3 :: 1.1800 HD2 :: 1.6100 HD3 :: 1.6400 HE2 :: 2.9200 HE3 :: 2.9200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.6300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.4100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9500 HA2 :: 4.4600 HA3 :: 3.4300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.6600 Ave N Shift Values>> N :: 109.67(3.87) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 Q 0.1 K 0.09 M 0.07 I 0.04 C Shift Assignments>> C :: 174.1100 CA :: 57.8400 CB :: 30.0800 CG :: 35.7500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2100 HA :: 3.9600 HB2 :: 2.3300 HB3 :: 1.8800 HG2 :: 2.2100 HG3 :: 1.9100 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.5800 Ave N Shift Values>> N :: 120.67(3.48) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.38 R 0.04 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 175.4800 CA :: 54.1000 CB :: 35.0400 CG :: 25.1000 CD :: 28.5500 CE :: 41.5000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1300 HA :: 5.3700 HB2 :: 1.7000 HB3 :: 1.6800 HG2 :: 1.1900 HG3 :: 1.1900 HD2 :: 1.5000 HD3 :: 1.5200 HE2 :: 2.8600 HE3 :: 2.8600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.8400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.18 F 0.16 Y 0.05 C Shift Assignments>> C :: 175.6600 CA :: 56.5200 CB :: 44.2500 CD1 :: 130.6500 CD2 :: 130.6500 CE1 :: 128.5000 CE2 :: 128.5000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1600 HA :: 5.3800 HB2 :: 2.2200 HB3 :: 2.7700 HD1 :: 6.6000 HD2 :: 6.6000 HE1 :: 6.4100 HE2 :: 6.4100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.4500 Ave N Shift Values>> N :: 120.45(4.18) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.25 C 0.23 M 0.15 R 0.02 E 0.01 C Shift Assignments>> C :: 175.6600 CA :: 53.5700 CB :: 29.7800 CG :: 33.1000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.6600 HA :: 4.9000 HB2 :: 1.9100 HB3 :: 1.9100 HG2 :: 2.3000 HG3 :: 2.1000 HE21 :: 6.8800 HE22 :: 7.4600 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.5700 NE2 :: 111.4200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 I 0.01 M 0.01 C Shift Assignments>> C :: 175.6800 CA :: 58.8000 CB :: 34.0600 CG1 :: 26.4000 CG2 :: 17.1000 CD1 :: 9.1500 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.4000 HA :: 4.1100 HB :: 1.8600 HG12 :: 1.4100 HG13 :: 0.7100 HG21 :: 0.2800 HG22 :: 0.2800 HG23 :: 0.2800 HD11 :: 0.3500 HD12 :: 0.3500 HD13 :: 0.3500 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.4100 Ave N Shift Values>> N :: 121.46(4.28) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.28 A 0.17 C Shift Assignments>> C :: 177.2500 CA :: 55.1200 CB :: 41.2500 CG :: 26.7000 CD1 :: 24.9600 CD2 :: 21.5000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.9500 HA :: 4.2800 HB2 :: 1.2100 HB3 :: 1.4300 HG :: 1.4700 HD11 :: 0.7100 HD12 :: 0.7100 HD13 :: 0.7100 HD21 :: 0.6500 HD22 :: 0.6500 HD23 :: 0.6500 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.5000 Ave N Shift Values>> N :: 121.86(3.9) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.26 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.3100 CA :: 53.3400 CB :: 39.5800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.6000 HB2 :: 2.8100 HB3 :: 2.7800 HD21 :: 7.0400 HD22 :: 7.9400 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9300 ND2 :: 113.7400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> C :: 174.3100 CA :: 56.3000 CB :: 61.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8300 HA :: 4.0200 HB2 :: 2.2000(S) HB3 :: 2.9300(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.1000 Ave N Shift Values>> N :: 116.28(3.52) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9600 CA :: 60.0700 CB :: 63.4700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0400 HA :: 4.2200 HB2 :: 3.8600 HB3 :: 3.9200 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.0000 Ave N Shift Values>> N :: 116.28(3.52) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.27 K 0.15 Q 0.14 M 0.04 I 0.01 C Shift Assignments>> C :: 176.6900 CA :: 55.6000 CB :: 29.3800 CG :: 35.7500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7000 HA :: 4.5400 HB2 :: 2.3100 HB3 :: 2.1800 HG2 :: 2.3700 HG3 :: 2.2600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5000 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.7000 CA :: 44.8300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3100 HA2 :: 3.9400 HA3 :: 4.1400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7100 Ave N Shift Values>> N :: 109.67(3.87) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 N 0.12 Y 0.11 C 0.07 K 0.05 C Shift Assignments>> C :: 175.7700 CA :: 55.0300 CB :: 40.5400 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5500 HA :: 4.2600 HB2 :: 2.3700 HB3 :: 2.3600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.7900 Ave N Shift Values>> N :: 120.65(3.86) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.59 C 0.4 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 174.9100 CA :: 55.4700 CB :: 30.8600 CD1 :: 127.1700 CE3 :: 119.5800 CZ2 :: 113.9500 CZ3 :: 120.9600 CH2 :: 124.0500 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.6700 HA :: 5.0200 HB2 :: 2.8400 HB3 :: 2.8900 HD1 :: 7.0400 HE1 :: 9.9500 HE3 :: 6.9100 HZ2 :: 7.3400 HZ3 :: 6.7100 HH2 :: 7.2300 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.7200 NE1 :: 128.5900 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 175.2800 CA :: 52.4200 CB :: 31.5100 CD1 :: 123.6000 CE3 :: 118.3000 CZ2 :: 114.1900 CZ3 :: 120.9900 CH2 :: 123.8000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.1700 HA :: 5.3800 HB2 :: 2.6800 HB3 :: 2.8400 HD1 :: 7.0600 HE1 :: 9.6100 HE3 :: 6.6100 HZ2 :: 7.4100 HZ3 :: 5.7300 HH2 :: 7.0000 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.1600 NE1 :: 128.3300 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.27 Q 0.25 M 0.25 K 0.18 E 0.01 R 0.01 C Shift Assignments>> C :: 175.3300 CA :: 55.7600 CB :: 30.5000 CG :: 32.8000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7000 HA :: 4.1100 HB2 :: 1.7100 HB3 :: 1.8600 HG2 :: 1.5300(S) HG3 :: 1.7300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.5700 Ave N Shift Values>> N :: 120.67(3.48) 1.A45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.62 L 0.18 C 0.1 K 0.04 R 0.02 C Shift Assignments>> CA :: 50.5500 CB :: 25.2000(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4000 HA :: 5.1100 HB1 :: 1.0800 HB2 :: 1.0800 HB3 :: 1.0800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.3000 Ave N Shift Values>> N :: 123.23(3.54) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.25 G 0.04 HN Overlap>> 1.Y108 1.Y108 C Shift Assignments>> C :: 176.7400 CA :: 53.0000 CB :: 33.1000 CG :: 26.0000 CD :: 42.5500 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.9200 HA :: 5.3200 HB2 :: 1.7100 HB3 :: 1.5100 HG2 :: 1.2800 HG3 :: 1.2800 HD2 :: 3.1500 HD3 :: 3.1700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.6000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.7300 CA :: 56.9200 CB :: 62.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7500 HA :: 4.4100 HB2 :: 4.0900 HB3 :: 4.0500 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.8200 Ave N Shift Values>> N :: 116.28(3.52) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 178.4200 CA :: 56.3600 CB :: 39.5700 CG :: 27.7000 CD1 :: 24.8000 CD2 :: 23.0000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0300 HA :: 4.2500 HB2 :: 1.6100 HB3 :: 1.4700 HG :: 1.5800 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 0.7900 HD22 :: 0.7900 HD23 :: 0.7900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.7700 Ave N Shift Values>> N :: 121.86(3.9) 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.8900 CA :: 65.3700 CB :: 68.8600 CG2 :: 21.3000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4500 HA :: 4.1700 HB :: 3.9600 HG21 :: 1.2300 HG22 :: 1.2300 HG23 :: 1.2300 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.3000 Ave N Shift Values>> N :: 115.42(4.75) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 176.6500 CA :: 61.2000 CB :: 70.5500 CG2 :: 21.3000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1000 HA :: 4.4400 HB :: 4.4500 HG21 :: 1.2600 HG22 :: 1.2600 HG23 :: 1.2600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.2400 Ave N Shift Values>> N :: 115.42(4.75) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.9400 CA :: 45.1000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9600 HA2 :: 4.2200 HA3 :: 3.8000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0600 Ave N Shift Values>> N :: 109.67(3.87) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.21 M 0.19 E 0.03 R 0.01 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 175.0900 CA :: 56.0600 CB :: 30.2700 CG :: 33.2000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0700 HA :: 4.3400 HB2 :: 1.9500 HB3 :: 1.8800 HG2 :: 2.1200 HG3 :: 2.3400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7900 Ave N Shift Values>> N :: 120.67(3.48) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 174.5800 CA :: 59.5000 CB :: 70.6700 CG2 :: 20.2000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.3700 HA :: 5.7100 HB :: 3.9600 HG21 :: 1.0500 HG22 :: 1.0500 HG23 :: 1.0500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.8600 Ave N Shift Values>> N :: 115.42(4.75) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.0000 CA :: 44.8500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8100 HA2 :: 4.1500 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.9300 Ave N Shift Values>> N :: 109.67(3.87) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.0700 CA :: 58.0300 CB :: 39.6500 CD1 :: 131.6600 CD2 :: 131.6600 CE1 :: 117.8000 CE2 :: 117.8000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.6800 HA :: 5.4200 HB2 :: 2.7800 HB3 :: 2.8400 HD1 :: 6.9200 HD2 :: 6.9200 HE1 :: 6.7700 HE2 :: 6.7700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.8000 Ave N Shift Values>> N :: 120.52(4.2) 1.I56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 A 0.24 I 0.05 C Shift Assignments>> CA :: 56.8700 CB :: 39.3700 CG1 :: 23.2000 CG2 :: 19.0100 CD1 :: 13.1300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2500 HA :: 4.9800 HB :: 1.1700 HG12 :: 0.9200 HG13 :: 0.5800 HG21 :: 0.4300 HG22 :: 0.4300 HG23 :: 0.4300 HD11 :: -0.4200(S) HD12 :: -0.4200(S) HD13 :: -0.4200(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.3500 Ave N Shift Values>> N :: 121.46(4.28) 1.P57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.96 P 0.02 C Shift Assignments>> C :: 178.8000 CA :: 60.4000 CB :: 29.2400 CG :: 25.7000 CD :: 49.1000 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.7100 HB2 :: 1.0300 HB3 :: 1.2900 HG2 :: 0.5100(S) HG3 :: 0.7000(S) HD2 :: 3.0200 HD3 :: 2.8600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S58 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6700 CA :: 59.8300 CB :: 60.1500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6500 HA :: 2.4800(S) HB2 :: 1.8800(S) HB3 :: 1.4700(A) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.5000 Ave N Shift Values>> N :: 116.28(3.52) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.26 M 0.17 E 0.12 K 0.04 Q 0.04 Y 0.03 F 0.02 C Shift Assignments>> C :: 175.6600 CA :: 52.9500 CB :: 35.8800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.0700 HA :: 4.5800 HB2 :: 2.8800 HB3 :: 2.6400 HD21 :: 6.6500 HD22 :: 7.4600 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9600 ND2 :: 111.8600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.9000 CA :: 58.0400 CB :: 38.6400 CD1 :: 131.5000 CD2 :: 131.5000 CE1 :: 118.0200 CE2 :: 118.0200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8200 HA :: 4.6800 HB2 :: 3.5000 HB3 :: 3.2400 HD1 :: 7.0900 HD2 :: 7.0900 HE1 :: 6.9200 HE2 :: 6.9200 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.2100 Ave N Shift Values>> N :: 120.52(4.2) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 A 0.09 V 0.01 C Shift Assignments>> C :: 174.1000 CA :: 57.4000 CB :: 36.3400 CG1 :: 20.8500 CG2 :: 17.8000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.1400 HA :: 5.6000 HB :: 2.0700 HG11 :: 0.3100 HG12 :: 0.3100 HG13 :: 0.3100 HG21 :: 0.5100 HG22 :: 0.5100 HG23 :: 0.5100 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 108.8600 Ave N Shift Values>> N :: 121.14(4.54) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.04 G 0.03 L 0.03 C Shift Assignments>> CA :: 49.3200 CB :: 21.1400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7300 HA :: 5.0400 HB1 :: 1.2300 HB2 :: 1.2300 HB3 :: 1.2300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2400 Ave N Shift Values>> N :: 123.23(3.54) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> C :: 177.8200 CA :: 62.3200 CB :: 31.2000 CG :: 26.7000 CD :: 49.4900 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.5600 HB2 :: 1.8000 HB3 :: 1.9400 HG2 :: 1.7100 HG3 :: 2.0000 HD2 :: 3.5300 HD3 :: 3.8500 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 176.0300 CA :: 63.4000 CB :: 31.4400 CG1 :: 20.8300 CG2 :: 20.8300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1000 HA :: 3.6600 HB :: 1.7900 HG11 :: 0.7900 HG12 :: 0.7900 HG13 :: 0.7900 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4600 Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.25 F 0.1 Y 0.1 L 0.09 C 0.08 HN Overlap>> 1.Y16 1.Y16 C Shift Assignments>> C :: 175.6900 CA :: 54.0000 CB :: 39.5000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3500 HA :: 4.5000 HB2 :: 2.6800 HB3 :: 2.7300 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.2200 Ave N Shift Values>> N :: 120.65(3.86) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> C :: 176.4700 CA :: 57.7000 CB :: 64.3400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8100 HA :: 4.4000 HB2 :: 3.7400 HB3 :: 4.0100 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.0100 Ave N Shift Values>> N :: 116.28(3.52) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.R79 1.R79 C Shift Assignments>> C :: 175.9000 CA :: 62.8900 CB :: 37.1600 CG1 :: 26.0000 CG2 :: 17.1700 CD1 :: 13.6000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4900 HA :: 3.7100 HB :: 1.4400 HG12 :: 0.7600 HG13 :: 0.7600 HG21 :: 0.5500 HG22 :: 0.5500 HG23 :: 0.5500 HD11 :: 0.4900 HD12 :: 0.4900 HD13 :: 0.4900 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9000 Ave N Shift Values>> N :: 121.46(4.28) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.28 K 0.16 R 0.14 E 0.04 I 0.01 M 0.01 C Shift Assignments>> C :: 176.0500 CA :: 57.3200 CB :: 27.3200 CG :: 33.8500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8000 HA :: 3.7600 HB2 :: 1.8900 HB3 :: 1.9300 HG2 :: 2.2700 HG3 :: 2.2700 HE21 :: 6.9000 HE22 :: 7.5700 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0900 NE2 :: 111.6000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C 0.01 C Shift Assignments>> C :: 177.7300 CA :: 51.2800 CB :: 18.6100 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3400 HA :: 4.0100 HB1 :: 1.1800 HB2 :: 1.1800 HB3 :: 1.1800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.9400 Ave N Shift Values>> N :: 123.23(3.54) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.32 R 0.15 K 0.13 E 0.03 M 0.01 C Shift Assignments>> C :: 179.0000 CA :: 54.9600 CB :: 27.0800 CG :: 34.0000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.3200 HA :: 3.8800 HB2 :: 1.9100 HB3 :: 1.9100 HG2 :: 1.9300 HG3 :: 1.9300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.3300 Ave N Shift Values>> N :: 120.67(3.48) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.31 K 0.13 Q 0.1 I 0.07 M 0.02 C Shift Assignments>> C :: 176.2500 CA :: 58.2300 CB :: 29.3000 CG :: 35.7000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1500 HA :: 3.8600 HB2 :: 1.8500 HB3 :: 1.9300 HG2 :: 2.2400 HG3 :: 2.2900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.7900 Ave N Shift Values>> N :: 120.67(3.48) 1.W72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 175.4900 CA :: 53.0600 CB :: 30.9300 CD1 :: 129.5700 CE3 :: 121.7200 CZ2 :: 114.2300 CZ3 :: 120.6000 CH2 :: 123.2000 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.1900 HA :: 4.5800 HB2 :: 2.6300 HB3 :: 3.6300 HD1 :: 7.5100 HE1 :: 10.8700 HE3 :: 7.3200 HZ2 :: 7.2500 HZ3 :: 6.6900 HH2 :: 6.6200 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 107.0600(S) NE1 :: 133.6600 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.A142 1.A142 C Shift Assignments>> C :: 175.6700 CA :: 58.6600 CB :: 38.0100 CD1 :: 132.7000 CD2 :: 132.7000 CE1 :: 117.7600 CE2 :: 117.7600 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4500 HA :: 5.1800 HB2 :: 2.4100 HB3 :: 2.8500 HD1 :: 6.9500 HD2 :: 6.9500 HE1 :: 6.7800 HE2 :: 6.7800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.2000 Ave N Shift Values>> N :: 120.52(4.2) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.31 C 0.22 C Shift Assignments>> C :: 175.4800 CA :: 57.0100 CB :: 39.5000 CD1 :: 131.2200 CD2 :: 131.2200 CE1 :: 129.5000 CE2 :: 129.5000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.2500 HA :: 4.4100 HB2 :: 2.5900 HB3 :: 3.2200 HD1 :: 7.2900 HD2 :: 7.2900 HE1 :: 7.2900 HE2 :: 7.2900 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 129.1000 Ave N Shift Values>> N :: 120.45(4.18) 1.G75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 173.7200 CA :: 46.8200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.4100(S) HA2 :: 3.5300 HA3 :: 3.7600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.2200 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.3 K 0.28 G 0.02 C Shift Assignments>> C :: 174.5000 CA :: 56.4000 CB :: 30.3000 CG :: 24.1000 CD :: 29.0100 CE :: 42.8000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6400 HA :: 4.2300 HB2 :: 1.8400 HB3 :: 1.6400 HG2 :: 1.2400 HG3 :: 1.3600 HD2 :: 1.6400 HD3 :: 1.6400 HE2 :: 3.0000 HE3 :: 3.0300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.9100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.2 G 0.18 R 0.06 A 0.02 C Shift Assignments>> C :: 175.5000 CA :: 54.1800 CB :: 43.8000 CG :: 26.0000 CD1 :: 26.5200 CD2 :: 23.6800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6200 HA :: 4.3900 HB2 :: 1.4700 HB3 :: 1.4600 HG :: 1.7300 HD11 :: 0.6850 HD12 :: 0.6850 HD13 :: 0.6850 HD21 :: 1.0200 HD22 :: 1.0200 HD23 :: 1.0200 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.9800 Ave N Shift Values>> N :: 121.86(3.9) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.1600 CA :: 44.5700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0900 HA2 :: 3.8900 HA3 :: 3.9400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.2700 Ave N Shift Values>> N :: 109.67(3.87) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.39 K 0.07 G 0.02 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 178.2100 CA :: 60.0800 CB :: 30.3000 CG :: 26.9000 CD :: 42.6000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.5100 HA :: 3.3800 HB2 :: 1.6400 HB3 :: 1.7600 HG3 :: 1.0000 HD2 :: 2.8600 HD3 :: 2.8900 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.9600 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.32 R 0.14 C Shift Assignments>> C :: 179.8700 CA :: 58.8000 CB :: 30.3100 CG :: 24.1000 CD :: 28.3000 CE :: 41.5000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6000 HA :: 3.9600 HB2 :: 1.7500 HB3 :: 1.7500 HG2 :: 1.3500 HG3 :: 1.4500 HD2 :: 1.6300 HD3 :: 1.6300 HE2 :: 2.9300 HE3 :: 2.9500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.2500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 D 0.13 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 C Shift Assignments>> C :: 178.8000 CA :: 56.9100 CB :: 39.8000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1300 HA :: 4.4000 HB2 :: 2.4500 HB3 :: 2.6000 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.3900 Ave N Shift Values>> N :: 120.65(3.86) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.02 C 0.01 C Shift Assignments>> C :: 179.2000 CA :: 54.7600 CB :: 17.6600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5500 HA :: 3.7900 HB1 :: 1.3600 HB2 :: 1.3600 HB3 :: 1.3600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3000 Ave N Shift Values>> N :: 123.23(3.54) 1.E83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 I 0.32 E 0.17 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.2600 CA :: 59.9100 CB :: 27.5000 CG :: 36.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0200 HA :: 3.7800 HB2 :: 1.9000 HB3 :: 2.3000 HG2 :: 1.9800 HG3 :: 3.0000(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.9800 Ave N Shift Values>> N :: 120.67(3.48) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 K 0.15 L 0.04 G 0.02 HN Overlap>> 1.Q85 1.Q85 C Shift Assignments>> C :: 179.4000 CA :: 58.5100 CB :: 29.0600 CG :: 26.8000 CD :: 42.8000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7900 HA :: 3.8600 HB2 :: 1.9000 HB3 :: 1.9200 HG2 :: 1.5800 HG3 :: 1.7100 HD2 :: 3.2100 HD3 :: 3.2100 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.9000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.23 R 0.17 K 0.15 E 0.01 I 0.01 M 0.01 HN Overlap>> 1.R84 1.R84 C Shift Assignments>> C :: 179.4000 CA :: 58.3400 CB :: 27.3000 CG :: 33.4000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7800 HA :: 3.8500 HB2 :: 1.8900 HB3 :: 1.8900 HG2 :: 2.2300 HG3 :: 2.2900 HE21 :: 6.6500 HE22 :: 7.0700 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.9000 NE2 :: 110.4200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.35 K 0.09 G 0.02 C Shift Assignments>> C :: 179.4800 CA :: 57.4300 CB :: 42.3900 CD1 :: 23.1500 CD2 :: 26.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1900 HA :: 3.8200 HB2 :: 1.8200 HB3 :: 0.8800 HG :: 1.5300 HD11 :: 0.4900 HD12 :: 0.4900 HD13 :: 0.4900 HD21 :: 0.4700 HD22 :: 0.4700 HD23 :: 0.4700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.0400 Ave N Shift Values>> N :: 121.86(3.9) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 C 0.37 L 0.19 C Shift Assignments>> C :: 175.7500 CA :: 55.0300 CB :: 38.9300 CG :: 25.9000 CD1 :: 24.8000 CD2 :: 20.8000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1000 HA :: 4.2400 HB2 :: 1.7400 HB3 :: 1.6000 HG :: 1.5200 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 0.5200 HD22 :: 0.5200 HD23 :: 0.5200 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7400 Ave N Shift Values>> N :: 121.86(3.9) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.3700 CB :: 63.9800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.0500 HA :: 4.2900 HB2 :: 3.8500 HB3 :: 3.8500 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.2000 Ave N Shift Values>> N :: 116.28(3.52) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.29 C 0.23 HN Overlap>> 1.V166 1.V166 C Shift Assignments>> C :: 176.8400 CA :: 59.2900 CB :: 39.3400 CD1 :: 131.2000 CD2 :: 131.2000 CE1 :: 131.2000 CE2 :: 131.2000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.5300 HA :: 4.3100 HB2 :: 2.9200 HB3 :: 3.1900 HD1 :: 7.2300 HD2 :: 7.2300 HE1 :: 7.3500 HE2 :: 7.3400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.5000 Ave N Shift Values>> N :: 120.45(4.18) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.29 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.1100 CA :: 44.0800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2700 HA2 :: 3.2000 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5100 Ave N Shift Values>> N :: 109.67(3.87) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 C 0.13 D 0.07 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> CA :: 50.0400 CB :: 38.1000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.9800 HA :: 5.0500 HB2 :: 2.8300 HB3 :: 3.0000 HD21 :: 6.8400 HD22 :: 6.9900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.8300 ND2 :: 113.3600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> C :: 177.8400 CA :: 61.1700 CB :: 32.5200 CG :: 26.6000 CD :: 50.0500 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5000 HB2 :: 1.9300 HB3 :: 2.1300 HG2 :: 1.5800 HG3 :: 1.7200 HD2 :: 3.7000 HD3 :: 3.8600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 G 0.1 L 0.02 K 0.01 C Shift Assignments>> C :: 177.0400 CA :: 58.1000 CB :: 29.2300 CG :: 27.5500 CD :: 43.7000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6800 HA :: 3.8100 HB2 :: 1.7000 HB3 :: 1.9100 HG2 :: 1.6200 HG3 :: 1.6200 HD2 :: 3.2000 HD3 :: 3.2700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.9100 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 176.1500 CA :: 45.0000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.5400 HA2 :: 3.3500 HA3 :: 4.4900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.8900 Ave N Shift Values>> N :: 109.67(3.87) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.2000 CA :: 64.2000 CB :: 67.2900 CG2 :: 21.0000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8100 HA :: 5.3300 HB :: 3.7000 HG21 :: 1.0600 HG22 :: 1.0600 HG23 :: 1.0600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.0000 Ave N Shift Values>> N :: 115.42(4.75) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.11 F 0.02 C Shift Assignments>> C :: 172.3400 CA :: 54.7300 CB :: 44.5800 CD1 :: 133.3700 CD2 :: 133.3700 CE1 :: 128.0900 CE2 :: 128.0900 CZ :: 128.9900 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.3800 HA :: 6.0500 HB2 :: 2.6700 HB3 :: 2.9000 HD1 :: 6.5300 HD2 :: 6.5300 HE1 :: 6.6200 HE2 :: 6.6200 HZ :: 6.8800 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.5000 Ave N Shift Values>> N :: 120.45(4.18) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.23 L 0.16 A 0.01 HN Overlap>> 1.G106 1.G106 C Shift Assignments>> C :: 174.5800 CA :: 54.2500 CB :: 44.6200 CG :: 24.2000 CD1 :: 25.5000 CD2 :: 24.6200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.9300 HB2 :: 1.3500 HB3 :: 1.3500 HG :: 1.4600 HD11 :: -0.1700 HD12 :: -0.1700 HD13 :: -0.1700 HD21 :: 0.5900 HD22 :: 0.5900 HD23 :: 0.5900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.5000 Ave N Shift Values>> N :: 121.86(3.9) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 172.7500 CA :: 59.7300 CB :: 39.3700 CG1 :: 29.1200 CG2 :: 17.4500 CD1 :: 12.1600 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.3700 HA :: 5.5600 HB :: 2.1400 HG12 :: 1.0800 HG13 :: 1.6300 HG21 :: 1.0600 HG22 :: 1.0600 HG23 :: 1.0600 HD11 :: 0.3640 HD12 :: 0.3640 HD13 :: 0.3640 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9500 Ave N Shift Values>> N :: 121.46(4.28) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.17 G 0.06 C Shift Assignments>> C :: 174.9200 CA :: 52.1600 CB :: 33.4000 CG :: 25.8000 CD :: 42.5000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.0700 HA :: 5.1600 HB2 :: 1.2600 HB3 :: 2.3200 HG2 :: 1.4700 HG3 :: 1.6300 HD2 :: 2.3800 HD3 :: 3.4200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.7000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 K 0.12 Q 0.09 I 0.05 M 0.04 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 176.4500 CA :: 57.4100 CB :: 29.5600 CG :: 35.9100 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7600 HA :: 4.2300 HB2 :: 1.7900 HB3 :: 2.0400 HG2 :: 2.2300 HG3 :: 2.2300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.1000 Ave N Shift Values>> N :: 120.67(3.48) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S66 1.S66 C Shift Assignments>> C :: 176.4600 CA :: 57.3000 CB :: 63.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8100 HA :: 4.4600 HB2 :: 3.4900 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.0000 Ave N Shift Values>> N :: 116.28(3.52) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 M 0.06 I 0.05 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.6400 CA :: 57.4700 CB :: 30.2700 CG :: 36.7500 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.7700 HA :: 4.2600 HB2 :: 2.0800 HB3 :: 2.1500 HG2 :: 2.3200 HG3 :: 2.3300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.6900 Ave N Shift Values>> N :: 120.67(3.48) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.6300 CA :: 61.9000 CB :: 70.2200 CG2 :: 21.4500 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.8900 HA :: 4.2900 HB :: 4.0900 HG21 :: 1.1600 HG22 :: 1.1600 HG23 :: 1.1600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.9700 Ave N Shift Values>> N :: 115.42(4.75) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.1700 CA :: 60.9000 CB :: 69.8500 CG2 :: 21.0600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7400 HA :: 4.4200 HB :: 3.7000 HG21 :: 1.1000 HG22 :: 1.1000 HG23 :: 1.1000 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.5000 Ave N Shift Values>> N :: 115.42(4.75) 1.K105 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 R 0.03 C Shift Assignments>> C :: 178.2000 CA :: 57.4200 CB :: 31.1700 CG :: 24.0000 CD :: 41.7000(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5700 HA :: 4.1100 HB2 :: 1.7100 HB3 :: 1.7100 HG2 :: 1.3400 HG3 :: 1.4200 HD2 :: 2.9700(S) HD3 :: 2.9900(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.0600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.L97 1.L97 C Shift Assignments>> C :: 172.9600 CA :: 44.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9000 HA2 :: 3.6000 HA3 :: 4.1500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.4000 Ave N Shift Values>> N :: 109.67(3.87) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.02 C 0.01 G 0.01 HN Overlap>> 1.W42 1.W42 C Shift Assignments>> C :: 176.4600 CA :: 49.4200 CB :: 19.4600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5900 HA :: 4.9400 HB1 :: 1.4300 HB2 :: 1.4300 HB3 :: 1.4300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8000 Ave N Shift Values>> N :: 123.23(3.54) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.24 G 0.02 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 174.3100 CA :: 56.4500 CB :: 42.3800 CD1 :: 132.0000 CD2 :: 132.0000 CE1 :: 118.4000 CE2 :: 118.4000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.8900 HA :: 5.2200 HB2 :: 2.6300 HB3 :: 3.1900 HD1 :: 6.9700 HD2 :: 6.9700 HE1 :: 7.0800 HE2 :: 7.0800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.5000 Ave N Shift Values>> N :: 120.52(4.2) 1.S109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5500 CA :: 57.4800 CB :: 65.0800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.6400 HA :: 5.3600 HB2 :: 3.4000 HB3 :: 3.4800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.0800 Ave N Shift Values>> N :: 116.28(3.52) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.19 G 0.17 R 0.12 A 0.1 C Shift Assignments>> C :: 174.9100 CA :: 52.8700 CB :: 43.4500 CG :: 26.9000 CD1 :: 23.0100 CD2 :: 26.5800 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.4500 HA :: 5.1900 HB2 :: 1.2600 HB3 :: 1.9600 HG :: 1.4800 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 HD21 :: 0.4200 HD22 :: 0.4200 HD23 :: 0.4200 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.0800 Ave N Shift Values>> N :: 121.86(3.9) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5500 CA :: 58.2300 CB :: 64.8900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0800 HA :: 5.3600 HB2 :: 3.3000 HB3 :: 3.3900 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 125.3000 Ave N Shift Values>> N :: 116.28(3.52) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 I 0.17 G 0.13 C Shift Assignments>> C :: 174.3600 CA :: 59.3700 CB :: 43.2800 CG1 :: 26.8000 CG2 :: 16.4300 CD1 :: 15.2200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.0200 HA :: 4.8100 HB :: 1.3900 HG12 :: 1.4700 HG13 :: 1.6000 HG21 :: 0.6600 HG22 :: 0.6600 HG23 :: 0.6600 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.9200 Ave N Shift Values>> N :: 121.46(4.28) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.36 K 0.08 G 0.07 HN Overlap>> 1.D121 1.D121 C Shift Assignments>> C :: 172.7500 CA :: 55.9100 CB :: 30.8000 CG :: 27.7000 CD :: 43.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.9300 HA :: 4.4000 HB2 :: 1.3500 HB3 :: 1.9800 HG2 :: 1.3400 HG3 :: 1.6600 HD2 :: 2.8200 HD3 :: 3.2200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.6700 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.78 L 0.1 D 0.03 R 0.03 C 0.02 C Shift Assignments>> C :: 174.7100 CA :: 51.3500 CB :: 44.4500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.1400 HA :: 5.3300 HB2 :: 1.7400(S) HB3 :: 2.3200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.7000 Ave N Shift Values>> N :: 120.65(3.86) 1.W115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 174.8900 CA :: 57.2000 CB :: 32.5400 CD1 :: 126.7000 CE3 :: 120.0100 CZ2 :: 114.1900 CZ3 :: 121.6800 CH2 :: 123.9700 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5900 HA :: 4.8800 HB2 :: 2.7600 HB3 :: 3.2500 HD1 :: 7.3500 HE1 :: 10.2700 HE3 :: 7.2800 HZ2 :: 7.4200 HZ3 :: 7.0500 HH2 :: 7.1800 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.3000 NE1 :: 130.2700 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.15 K 0.08 C 0.04 F 0.04 N 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 173.9300 CA :: 52.9300 CB :: 42.7100 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.7800 HA :: 3.9400 HB2 :: 2.5200 HB3 :: 2.7400 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.9000 Ave N Shift Values>> N :: 120.65(3.86) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.19 F 0.15 Y 0.14 L 0.12 C 0.09 I 0.01 C Shift Assignments>> C :: 176.2700 CA :: 55.0300 CB :: 39.7500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9100 HA :: 3.8500 HB2 :: 2.5300 HB3 :: 2.6500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.7000 Ave N Shift Values>> N :: 120.65(3.86) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.42 A 0.05 HN Overlap>> 1.H125 1.H125 C Shift Assignments>> C :: 177.6200 CA :: 56.1700 CB :: 32.7000 CG :: 31.3000 CE :: 16.3900 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.1500 HA :: 4.3600 HB2 :: 1.8700 HB3 :: 1.8700 HG2 :: 2.3500 HG3 :: 2.4700 HE1 :: 1.9800 HE2 :: 1.9800 HE3 :: 1.9800 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.6000 Ave N Shift Values>> N :: 120.09(3.57) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.38 R 0.03 C Shift Assignments>> C :: 177.4300 CA :: 55.5200 CB :: 32.6300 CG :: 24.1000 CD :: 27.7200 CE :: 40.6700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.1800 HA :: 4.0600 HB2 :: 1.0800 HB3 :: 1.2200 HG2 :: 1.0200 HG3 :: 1.0200 HD2 :: 0.9800 HD3 :: 1.0900 HE2 :: 2.4100 HE3 :: 2.5600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.4900 CA :: 44.4300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4900 HA2 :: 3.1900 HA3 :: 3.9500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7400 Ave N Shift Values>> N :: 109.67(3.87) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.2 F 0.13 Y 0.1 K 0.09 N 0.08 C 0.06 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 175.2600 CA :: 55.1900 CB :: 40.9000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8200 HA :: 5.1000 HB2 :: 2.4000 HB3 :: 2.6900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.6700 Ave N Shift Values>> N :: 120.65(3.86) 1.H122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 C 0.11 R 0.11 E 0.11 M 0.04 L 0.01 HN Overlap>> 1.V123 1.V123 C Shift Assignments>> C :: 170.9900 CA :: 55.4200 CB :: 29.1500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.5400 HA :: 4.7400 HB2 :: 2.9600 HB3 :: 3.1600 HD2 :: 6.5900 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.8300 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 HN Overlap>> 1.H122 1.H122 C Shift Assignments>> C :: 174.8800 CA :: 59.8800 CB :: 34.5600 CG1 :: 21.5200 CG2 :: 22.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6300 HA :: 4.7900 HB :: 1.5700 HG11 :: 0.1500 HG12 :: 0.1500 HG13 :: 0.1500 HG21 :: 0.7600 HG22 :: 0.7600 HG23 :: 0.7600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.8500 Ave N Shift Values>> N :: 121.14(4.54) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.34 C Shift Assignments>> C :: 173.9400 CA :: 54.0400 CB :: 36.3600 CG :: 25.3000 CD :: 29.2000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6100 HA :: 4.4200 HB2 :: 1.4600 HB3 :: 1.6600 HG2 :: 1.3200 HG3 :: 1.3600 HD2 :: 1.7500 HD3 :: 1.7500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.5000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 C 0.37 W 0.24 HN Overlap>> 1.M118 1.M118 C Shift Assignments>> C :: 175.6600 CA :: 54.0000 CB :: 32.6700 CE1 :: 137.1000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.2500 HA :: 5.4600 HB2 :: 2.6500 HB3 :: 2.6500 HD2 :: 6.9700 HE1 :: 7.2500 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.6000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 174.6900 CA :: 56.3000 CB :: 40.6800 CD1 :: 132.9000 CD2 :: 132.9000 CE1 :: 117.7300 CE2 :: 117.7300 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.7000 HA :: 4.7300 HB2 :: 2.7500 HB3 :: 2.8400 HD1 :: 7.0100 HD2 :: 7.0100 HE1 :: 6.7900 HE2 :: 6.7900 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.9000 Ave N Shift Values>> N :: 120.52(4.2) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.39 R 0.08 C Shift Assignments>> C :: 175.6900 CA :: 56.4000 CB :: 32.0000 CG :: 24.0000 CD :: 27.8000 CE :: 41.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.8500 HA :: 4.6400 HB2 :: 1.7500 HB3 :: 1.7500 HG2 :: 1.4200 HG3 :: 1.4200 HD2 :: 1.4700 HD3 :: 1.4700 HE2 :: 2.8500 HE3 :: 2.9100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.9000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.4600 CA :: 59.8000 CB :: 38.6500 CG1 :: 26.2000 CG2 :: 18.1000 CD1 :: 15.2200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2100 HA :: 4.3700 HB :: 1.7800 HG12 :: 0.6900 HG13 :: 0.6900 HG21 :: 0.9030 HG22 :: 0.9030 HG23 :: 0.9030 HD11 :: 0.7200 HD12 :: 0.7200 HD13 :: 0.7200 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.5000 Ave N Shift Values>> N :: 121.46(4.28) 1.R129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 K 0.32 C 0.28 G 0.04 C Shift Assignments>> C :: 173.7200 CA :: 53.3700 CB :: 32.2800 CG :: 28.4000 CD :: 42.8000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1400 HA :: 4.6400 HB2 :: 0.7200(S) HB3 :: 1.6000 HG2 :: 1.4400 HG3 :: 1.4600 HD2 :: 3.0200 HD3 :: 3.0800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.4000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.08 A 0.02 G 0.01 C Shift Assignments>> C :: 177.5500 CA :: 53.8000 CB :: 34.4400 CG :: 24.0000 CD :: 27.9000 CE :: 41.9000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4700 HA :: 4.9200 HB2 :: 1.4900 HB3 :: 1.6900 HG2 :: 0.7900 HG3 :: 1.2000 HD2 :: 1.0400 HD3 :: 1.3800 HE2 :: 2.8100 HE3 :: 2.8800 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.19 A 0.06 G 0.01 C Shift Assignments>> C :: 178.4000 CA :: 54.0600 CB :: 42.0800 CG :: 26.3000 CD1 :: 24.4000 CD2 :: 23.0200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6800 HA :: 4.4300 HB2 :: 1.4600 HB3 :: 1.4700 HG :: 1.6100 HD11 :: 0.6600 HD12 :: 0.6600 HD13 :: 0.6600 HD21 :: 0.6700 HD22 :: 0.6700 HD23 :: 0.6700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.0600 Ave N Shift Values>> N :: 121.86(3.9) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.23 D 0.16 C 0.12 L 0.1 N 0.08 I 0.03 C Shift Assignments>> C :: 177.0300 CA :: 56.3500 CB :: 39.6500 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.8200 HA :: 4.2700 HB2 :: 2.5800 HB3 :: 2.5800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.9500 Ave N Shift Values>> N :: 120.65(3.86) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.15 Y 0.05 D 0.04 M 0.04 E 0.04 F 0.04 C Shift Assignments>> C :: 175.0200 CA :: 52.4800 CB :: 37.3000 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.2800 HA :: 4.6400 HB2 :: 2.8300 HB3 :: 2.8500 HD21 :: 6.8400 HD22 :: 7.5200 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.9800 ND2 :: 112.3700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.9500 CA :: 44.4000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5400 HA2 :: 3.9100 HA3 :: 3.9500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7300 Ave N Shift Values>> N :: 109.67(3.87) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.1400 CA :: 43.7900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1000 HA2 :: 4.2500 HA3 :: 3.8100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2000 Ave N Shift Values>> N :: 109.67(3.87) 1.Y136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 C Shift Assignments>> C :: 176.9500 CA :: 57.4300 CB :: 41.5700 CD1 :: 132.5200 CD2 :: 132.5200 CE1 :: 117.7200 CE2 :: 117.7200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.3100 HA :: 5.6100 HB2 :: 2.6000 HB3 :: 2.8200 HD1 :: 6.9200 HD2 :: 6.9100 HE1 :: 6.9600 HE2 :: 6.9600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.9000 Ave N Shift Values>> N :: 120.52(4.2) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 172.5400 CA :: 57.5350 CB :: 40.6000 CD1 :: 133.1000 CD2 :: 133.1000 CE1 :: 117.3700 CE2 :: 117.3700 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2100 HA :: 5.2500 HB2 :: 2.9000 HB3 :: 3.4700 HD1 :: 6.7100 HD2 :: 6.7100 HE1 :: 6.4700 HE2 :: 6.4700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.2000 Ave N Shift Values>> N :: 120.52(4.2) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 177.0700 CA :: 62.9200 CB :: 40.4700 CG1 :: 28.5000 CG2 :: 16.8000 CD1 :: 13.8000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.8300 HA :: 4.4800 HB :: 1.6000 HG12 :: 0.9100 HG13 :: 1.6000 HG21 :: 0.3700 HG22 :: 0.3700 HG23 :: 0.3700 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 121.46(4.28) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.67 C 0.27 A 0.04 C Shift Assignments>> C :: 174.7100 CA :: 58.4700 CB :: 70.3500 CG2 :: 20.2600 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.9700 HA :: 5.0800 HB :: 4.5900 HG21 :: 1.3600 HG22 :: 1.3600 HG23 :: 1.3600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3100 Ave N Shift Values>> N :: 115.42(4.75) 1.T140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.4900 CA :: 63.5000 CB :: 68.1700 CG2 :: 21.1000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.5700 HA :: 3.6600 HB :: 4.1800 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.6000 Ave N Shift Values>> N :: 115.42(4.75) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.13 G 0.02 L 0.01 C Shift Assignments>> C :: 175.4900 CA :: 56.6000 CB :: 30.0800 CG :: 26.8000 CD :: 42.7000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8400 HA :: 4.1300 HB2 :: 1.7400 HB3 :: 1.9300 HG2 :: 1.6300 HG3 :: 1.6300 HD2 :: 3.1600 HD3 :: 3.1800 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.7100 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.02 C 0.02 L 0.01 HN Overlap>> 1.Y73 1.Y73 C Shift Assignments>> C :: 173.3300 CA :: 51.2200 CB :: 20.0000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4500 HA :: 4.3000 HB1 :: 0.9900 HB2 :: 0.9900 HB3 :: 0.9900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.2000 Ave N Shift Values>> N :: 123.23(3.54) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.29 Q 0.15 K 0.07 C Shift Assignments>> C :: 174.9500 CA :: 52.9200 CB :: 31.0700 CG :: 32.4400 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7000 HA :: 5.0800 HB2 :: 1.6400 HB3 :: 1.7100 HG2 :: 1.9200 HG3 :: 1.9200 HE21 :: 6.5100 HE22 :: 7.3000 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.6000 NE2 :: 111.3000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.15 G 0.14 C Shift Assignments>> C :: 175.8500 CA :: 56.7100 CB :: 43.4400 CD1 :: 131.7900 CD2 :: 131.7900 CE1 :: 130.7600 CE2 :: 130.7600 CZ :: 128.4500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.2300 HA :: 4.8800 HB2 :: 2.6000 HB3 :: 3.3800 HD1 :: 7.1700 HD2 :: 7.1700 HE1 :: 6.9700 HE2 :: 6.9700 HZ :: 5.8000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.7700 Ave N Shift Values>> N :: 120.45(4.18) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.1 K 0.06 Q 0.04 M 0.03 C Shift Assignments>> C :: 177.0400 CA :: 59.0200 CB :: 29.9000 CG :: 36.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0900 HA :: 4.2200 HB2 :: 2.2500 HB3 :: 2.2500 HG2 :: 2.3300 HG3 :: 2.4500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.8900 Ave N Shift Values>> N :: 120.67(3.48) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 T 0.3 A 0.14 C Shift Assignments>> C :: 174.9000 CA :: 57.6000 CB :: 72.6100 CG2 :: 21.0300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.3900 HA :: 4.9700 HB :: 4.7800 HG21 :: 1.2400 HG22 :: 1.2400 HG23 :: 1.2400 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 102.2900 Ave N Shift Values>> N :: 115.42(4.75) 1.L147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 A 0.02 C Shift Assignments>> C :: 178.5100 CA :: 56.4200 CB :: 40.9800 CG :: 25.7000 CD1 :: 22.8400 CD2 :: 23.8000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0300 HA :: 3.6600 HB2 :: 0.9900 HB3 :: 1.4400 HG :: 0.6800 HD11 :: 0.1500 HD12 :: 0.1500 HD13 :: 0.1500 HD21 :: 0.0900 HD22 :: 0.0900 HD23 :: 0.0900 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.3600 Ave N Shift Values>> N :: 121.86(3.9) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.12 I 0.09 Q 0.08 R 0.06 P 0.04 E 0.01 C Shift Assignments>> CA :: 60.5500 CB :: 26.4000 CG :: 34.1000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.1800 HA :: 3.9200 HB2 :: 2.0500 HB3 :: 2.1800 HG2 :: 2.4300 HG3 :: 2.8200 HE21 :: 6.5300 HE22 :: 8.1100 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.0200 NE2 :: 110.9200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.25 E 0.08 R 0.04 M 0.02 I 0.02 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 178.0100 CA :: 58.2300 CB :: 28.7200 CG :: 33.9900 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9200 HA :: 3.9400 HB2 :: 2.3300 HB3 :: 2.3300 HG2 :: 2.5100 HG3 :: 2.5400 HE21 :: 7.2100 HE22 :: 7.5900 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.8200 NE2 :: 111.8400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 L 0.23 R 0.01 C Shift Assignments>> C :: 177.3600 CA :: 58.5300 CB :: 40.7700 CG :: 26.5000 CD1 :: 23.2000 CD2 :: 27.2200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.0400 HA :: 2.0800(S) HB2 :: 1.1700 HB3 :: 1.7200 HG :: 1.4200 HD11 :: 0.4700 HD12 :: 0.4700 HD13 :: 0.4700 HD21 :: 0.8800 HD22 :: 0.8800 HD23 :: 0.8800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.7000 Ave N Shift Values>> N :: 121.86(3.9) 1.V151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 178.6200 CA :: 65.9000 CB :: 30.7000 CG1 :: 20.1100 CG2 :: 22.0000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9500 HA :: 2.7700 HB :: 1.4400 HG11 :: 0.1400 HG12 :: 0.1400 HG13 :: 0.1400 HG21 :: -0.4500(S) HG22 :: -0.4500(S) HG23 :: -0.4500(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.4200 Ave N Shift Values>> N :: 121.14(4.54) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.24 Q 0.17 K 0.14 M 0.01 HN Overlap>> 1.L165 1.L165 C Shift Assignments>> C :: 178.4100 CA :: 58.5100 CB :: 27.2000 CG :: 32.8000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8700 HA :: 3.7600 HB2 :: 1.9600 HB3 :: 2.0600 HG2 :: 2.3600 HG3 :: 2.3600 HE21 :: 6.8000 HE22 :: 7.6700 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.6700 NE2 :: 112.4700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.36 C 0.34 H 0.28 C Shift Assignments>> C :: 177.9100 CA :: 59.8000 CB :: 30.8500 CD2 :: 120.8300 CE1 :: 137.6900 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6700 HA :: 3.9800 HB2 :: 2.6100 HB3 :: 2.8300 HD2 :: 5.0000(S) HE1 :: 7.7400 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.9500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.47 HN Overlap>> 1.S155 1.S155 C Shift Assignments>> C :: 175.6700 CA :: 59.4700 CB :: 36.8900 CD1 :: 133.8000 CD2 :: 133.8000 CE1 :: 117.3900 CE2 :: 117.3900 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.4700 HA :: 4.9300 HB2 :: 2.0600 HB3 :: 3.1600 HD1 :: 7.2100 HD2 :: 7.2100 HE1 :: 6.8300 HE2 :: 6.8300 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.5500 Ave N Shift Values>> N :: 120.52(4.2) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y154 1.Y154 C Shift Assignments>> C :: 174.9300 CA :: 59.6900 CB :: 62.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5500 HA :: 4.8200 HB2 :: 3.9300 HB3 :: 3.7500 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.5000 Ave N Shift Values>> N :: 116.28(3.52) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.27 Q 0.15 K 0.13 M 0.08 I 0.01 C Shift Assignments>> C :: 176.5100 CA :: 56.6000 CB :: 29.9000 CG :: 35.5000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.2400 HA :: 4.1700 HB2 :: 1.9200 HB3 :: 1.9300 HG2 :: 2.1000 HG3 :: 2.3800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.0000 Ave N Shift Values>> N :: 120.67(3.48) 1.R157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.32 R 0.27 G 0.02 C Shift Assignments>> C :: 172.5600 CA :: 54.1000 CB :: 31.2000 CG :: 25.4000 CD :: 42.5000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.5000 HA :: 4.2300 HB2 :: 1.5100 HB3 :: 1.7700 HG2 :: 1.2400 HG3 :: 1.3700 HD2 :: 2.9500 HD3 :: 2.9700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.8000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.02 C 0.01 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> C :: 178.2200 CA :: 54.4200 CB :: 17.4300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4200 HA :: 3.8300 HB1 :: 1.1600 HB2 :: 1.1600 HB3 :: 1.1600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8000 Ave N Shift Values>> N :: 123.23(3.54) 1.A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> C :: 176.8800 CA :: 52.0100 CB :: 18.6000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2400 HA :: 4.0000 HB1 :: 1.2500 HB2 :: 1.2500 HB3 :: 1.2500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.3000 Ave N Shift Values>> N :: 123.23(3.54) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.8900 CA :: 44.3700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3500 HA2 :: 3.5800 HA3 :: 4.4600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3900 Ave N Shift Values>> N :: 109.67(3.87) 1.L161 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 C 0.16 L 0.01 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 176.6200 CA :: 53.6000 CB :: 41.2000 CG :: 25.7000 CD1 :: 19.3000(S) CD2 :: 24.3000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0700 HA :: 4.0900 HB2 :: 0.9300 HB3 :: 1.7000 HG :: 1.3000 HD11 :: -0.4000(S) HD12 :: -0.4000(S) HD13 :: -0.4000(S) HD21 :: -0.1700 HD22 :: -0.1700 HD23 :: -0.1700 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.9500 Ave N Shift Values>> N :: 121.86(3.9) 1.C162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 Q 0.13 K 0.12 W 0.12 E 0.09 H 0.09 I 0.07 L 0.05 M 0.01 C Shift Assignments>> C :: 173.3300 CA :: 57.9800 CB :: 28.0600 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3600 HA :: 4.2300 HB2 :: 2.7800 HB3 :: 3.4900 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.5800 Ave N Shift Values>> N :: 120.17(4.64) 1.C163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 170.1900 CA :: 56.0600 CB :: 28.9500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3400 HA :: 4.4700 HB2 :: 2.9700 HB3 :: 3.1600 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.8000 Ave N Shift Values>> N :: 120.17(4.64) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.34 G 0.08 K 0.03 C Shift Assignments>> C :: 175.1300 CA :: 55.2200 CB :: 30.3000 CG :: 27.0000 CD :: 43.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8500 HA :: 4.1000 HB2 :: 1.4800 HB3 :: 1.4800 HG2 :: 1.1800 HG3 :: 1.3800 HD2 :: 3.0200 HD3 :: 2.8400 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.5000 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L165 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.48 C 0.44 L 0.06 HN Overlap>> 1.Q152 1.Q152 C Shift Assignments>> C :: 176.8600 CA :: 54.0000 CB :: 37.3800 CD1 :: 24.2800 CD2 :: 21.5700 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7700 HA :: 3.8300 HB2 :: 0.0330(S) HB3 :: 1.0200 HD11 :: -0.1500 HD12 :: -0.1500 HD13 :: -0.1500 HD21 :: 0.0800 HD22 :: 0.0800 HD23 :: 0.0800 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.7200 Ave N Shift Values>> N :: 121.86(3.9) 1.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 HN Overlap>> 1.F89 1.F89 C Shift Assignments>> C :: 176.2500 CA :: 64.5700 CB :: 33.6000 CG1 :: 20.1400 CG2 :: 21.7000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5200 HA :: 3.9300 HB :: 1.6800 HG11 :: 0.9000 HG12 :: 0.9000 HG13 :: 0.9000 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.5600 Ave N Shift Values>> N :: 121.14(4.54) 1.V167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.17 A 0.06 C Shift Assignments>> CA :: 57.4300 CB :: 34.4300 CG1 :: 20.0000 CG2 :: 20.0000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.1800 HA :: 4.9700 HB :: 2.1700 HG11 :: 1.0400 HG12 :: 1.0400 HG13 :: 1.0400 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.2600 Ave N Shift Values>> N :: 121.14(4.54) 1.P168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 176.4500 CA :: 61.0000 CB :: 31.6000 CG :: 27.4000 CD :: 51.1200 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.7500 HB2 :: 1.7600 HB3 :: 1.8000 HG2 :: 2.1600 HG3 :: 2.1600 HD2 :: 3.6900 HD3 :: 3.9700 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.22 R 0.15 W 0.08 Q 0.05 L 0.04 E 0.04 H 0.04 K 0.03 P 0.02 C Shift Assignments>> C :: 172.7500 CA :: 59.8800 CB :: 27.0700 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3200 HA :: 3.7200 HB2 :: 1.8400 HB3 :: 2.5100 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.6900 Ave N Shift Values>> N :: 120.17(4.64) 1.H170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 H 0.35 C 0.26 C Shift Assignments>> C :: 174.5800 CA :: 56.1300 CB :: 28.6000 CD2 :: 119.9700 CE1 :: 136.1600 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.3200 HA :: 4.6000 HB2 :: 3.2300 HB3 :: 3.3200 HD2 :: 7.3000 HE1 :: 8.4400 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 126.1800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.44 R 0.1 C Shift Assignments>> CA :: 57.6600 CB :: 32.8000 CG :: 25.0500 CD :: 28.3700 CE :: 41.6000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3100 HA :: 4.1300 HB2 :: 1.5300 HB3 :: 1.7300 HG2 :: 1.0000 HG3 :: 1.2100 HD2 :: 1.2400 HD3 :: 1.2900 HE2 :: 2.3600 HE3 :: 2.4100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.8500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 153 #Clerical: 0 #Suspicious: 16 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 168 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 171 #Suspicious: 0 C Shift Results: #Consistent: 747 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent:1133 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 1 N Shift Results: #Consistent: 178 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Y16 HB2 = 0.5600(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.1343e-10 1.S37 HB2 = 2.2000(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.8172e-11 1.S37 HB3 = 2.9300(S), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5583e-04 1.E44 HG2 = 1.5300(S), Expected = 2.27, Std = 0.2100, ChiSquare = 4.2539e-04 1.A45 CB = 25.2000(S), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1826e-04 1.I56 HD11 = -0.4200(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4878e-04 1.I56 HD12 = -0.4200(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4878e-04 1.I56 HD13 = -0.4200(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.4878e-04 1.P57 HG2 = 0.5100(S), Expected = 1.93, Std = 0.3100, ChiSquare = 4.6354e-06 1.P57 HG3 = 0.7000(S), Expected = 1.90, Std = 0.3300, ChiSquare = 2.7651e-04 1.S58 HA = 2.4800(S), Expected = 4.48, Std = 0.4000, ChiSquare = 5.7330e-07 1.S58 HB2 = 1.8800(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2442e-15 1.S58 HB3 = 1.4700(A), Expected = 3.85, Std = 0.2700, ChiSquare = 1.1988e-18 1.W72 N = 107.0600(S), Expected = 121.68, Std = 4.1800, ChiSquare = 4.6945e-04 1.G75 H = 5.4100(S), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0456e-06 1.E83 HG3 = 3.0000(S), Expected = 2.25, Std = 0.2200, ChiSquare = 6.5180e-04 1.K105 Typing: Suspicious 1.K105 CD = 41.7000(A), Expected = 28.96, Std = 1.0800, ChiSquare = 4.0787e-32 1.K105 HD2 = 2.9700(S), Expected = 1.61, Std = 0.2200, ChiSquare = 6.3367e-10 1.K105 HD3 = 2.9900(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.6466e-10 1.D114 HB2 = 1.7400(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.6375e-04 1.R129 HB2 = 0.7200(S), Expected = 1.79, Std = 0.2700, ChiSquare = 7.4025e-05 1.L150 HA = 2.0800(S), Expected = 4.32, Std = 0.4700, ChiSquare = 1.8796e-06 1.V151 HG21 = -0.4500(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0336e-06 1.V151 HG22 = -0.4500(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0336e-06 1.V151 HG23 = -0.4500(S), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0336e-06 1.H153 HD2 = 5.0000(S), Expected = 7.00, Std = 0.4300, ChiSquare = 3.3007e-06 1.L161 CD1 = 19.3000(S), Expected = 24.72, Std = 1.5900, ChiSquare = 6.5248e-04 1.L161 HD11 = -0.4000(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0058e-05 1.L161 HD12 = -0.4000(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0058e-05 1.L161 HD13 = -0.4000(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.0058e-05 1.L165 HB2 = 0.0330(S), Expected = 1.61, Std = 0.3400, ChiSquare = 3.5140e-06